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CaffeicAcid_NMRdata_400MHz_DMSOd6_Jeol

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DataCite Commons2025-09-16 更新2026-05-04 收录
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This dataset contains NMR spectra obtained for the sample -CaffeicAcid_NMRdata_400MHz_DMSOd6_Jeol date: {"year":2016,"month":12,"day":29} isFt: false name: CaffeicAcid_3080ug200uL_DMSOd6_13CNMR_400MHz_Jeol.jdf type: NMR SPECTRUM isFid: true title: title: CaffeicAcid_CAFF01_3100u200u / comment: single pulse decoupled gated NOE NS=4096 / author:gfp / site: UIC ECZ400 author: gfp nucleus: 13C solvent: DMSO-D6 metadata: [object Object] dimension: 1 isComplex: true probeName: 2774 experiment: 1d sampleName: CaffeicAcid_CAFF temperature: 298.15 baseFrequency: 100.54933803934405 digitalFilter: 19.655650138854977 fieldStrength: 9.389766 numberOfScans: 4096 pulseSequence: carbon.jxp spectralWidth: 314.0070760448474 numberOfPoints: 32768 relaxationTime: 2 acquisitionMode: 0 acquisitionTime: 1.03809024 frequencyOffset: 10054.933803934406 originFrequency: 100.52530332516541 pulseStrength90: 21570.319240724766 spectralWidthClipped: 251145614.13267756 date: {"year":2016,"month":12,"day":18} isFt: false name: CaffeicAcid_3080ug200uL_DMSOd6_COSY_400MHz_Jeol.jdf type: NMR SPECTRUM isFid: true title: title: CaffeicAcid_CAFF01_3100u200u / comment: gradient absolute value cosy 1k x 512 NS=4 / author:gfp / site: UIC ECZ400 author: gfp nucleus: 1H,1H solvent: DMSO-D6 metadata: [object Object] dimension: 2 isComplex: true probeName: 2774 experiment: 2d sampleName: CaffeicAcid_CAFF temperature: 298.15 spectrumSize: 1280,512 baseFrequency: 399.79256015247455,399.79256015247455 digitalFilter: 19.890698242187497 fieldStrength: 9.389766 numberOfScans: 4 pulseSequence: cosy_pfg.jxp spectralWidth: 13.761894815973884,11.000800429903302 numberOfPoints: 1280 relaxationTime: 1.5 acquisitionMode: 0 acquisitionTime: 0.23265280000000002,0.11641856000000002 frequencyOffset: 1998.9628007623728,1998.9628007623728 originFrequency: 399.78219837825003,399.78219837825003 pulseStrength90: 37775.763070414025 spectralWidthClipped: 11009230.509506226 date: {"year":2016,"month":12,"day":2} isFt: false name: CaffeicAcid_3080ug200uL_DMSOd6_HMBC_400MHz_Jeol.jdf type: NMR SPECTRUM isFid: true title: title: CaffeicAcid_CAFF01_3100u200u / comment: gradient enhanced HMBC 4k x 512 NS=8 / author:gfp / site: UIC ECZ400 author: gfp nucleus: 1H,13C solvent: DMSO-D6 metadata: [object Object] dimension: 2 isComplex: true probeName: 2774 experiment: 2d sampleName: CaffeicAcid_CAFF temperature: 298.15 spectrumSize: 4096,512 baseFrequency: 399.79256015247455,100.54933803934405 digitalFilter: 19.651451110839844 fieldStrength: 9.389766 numberOfScans: 8 pulseSequence: hmbc_pfg.jxp spectralWidth: 13.761894815973884,250.19477286470737 numberOfPoints: 4096 relaxationTime: 1.5 acquisitionMode: 0 acquisitionTime: 0.7444889600000001,0.02035712 frequencyOffset: 2198.8590808386098,10054.933803934406 originFrequency: 399.78219837825003,100.52530332516541 pulseStrength90: 37775.763070414025 spectralWidthClipped: 11009230.509506226 date: {"year":2016,"month":12,"day":29} isFt: false name: CaffeicAcid_3080ug200uL_DMSOd6_HSQC_400MHz_Jeol.jdf type: NMR SPECTRUM isFid: true title: title: CaffeicAcid_CAFF01_3100u200u / comment: absorption_hsqc_pn 2k x 512 NS=8 / author:gfp / site: UIC ECZ400 author: gfp nucleus: 1H,13C solvent: DMSO-D6 metadata: [object Object] dimension: 2 isComplex: true probeName: 2774 experiment: 2d sampleName: CaffeicAcid_CAFF temperature: 298.15 spectrumSize: 2048,1024 baseFrequency: 399.79256015247455,100.54933803934405 digitalFilter: 19.646652221679688 fieldStrength: 9.389766 numberOfScans: 8 pulseSequence: hsqc.jxp spectralWidth: 13.761894815973884,170.1050644511075 numberOfPoints: 2048 relaxationTime: 1.5 acquisitionMode: 0 acquisitionTime: 0.37224448000000004,0.029941759999999998 frequencyOffset: 1998.9628007623728,8546.693733344242 originFrequency: 399.78219837825003,100.52530332516541 pulseStrength90: 37775.763070414025 spectralWidthClipped: 11009230.509506226 date: {"year":2016,"month":12,"day":31} isFt: false name: CaffeicAcid_3080ug200uL_DMSOd6_qHNMR_400MHz_Jeol.jdf type: NMR SPECTRUM isFid: true title: title: CaffeicAcid_CAFF01_3100u200u / comment: qHNMR 20p 90deg aq+d1=30s NS=128 / author:gfp / site: UIC ECZ400 author: gfp nucleus: 1H solvent: DMSO-D6 metadata: [object Object] dimension: 1 isComplex: true probeName: 2774 experiment: 1d sampleName: CaffeicAcid_CAFF temperature: 298.15 baseFrequency: 399.79256015247455 digitalFilter: 19.65565013885498 fieldStrength: 9.389766 numberOfScans: 128 pulseSequence: proton.jxp spectralWidth: 25.05370594702938 numberOfPoints: 32768 relaxationTime: 26 acquisitionMode: 0 acquisitionTime: 3.27155712 frequencyOffset: 2798.547921067322 originFrequency: 399.78219837825003 pulseStrength90: 37775.763070414025 spectralWidthClipped: 20042445.286536977
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nmrXiv
创建时间:
2025-09-16
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