InChI=1S/C42H56N10.2ClH.2Cu/c1-39(2,3)33-21-25-49(45-33)37(50-26-22-34(46-50)40(4,5)6)31-17-13-15-29(43-31)19-20-30-16-14-18-32(44-30)38(51-27-23-35(47-51)41(7,8)9)52-28-24-36(48-52)42(10,11)12;;;;/h13-18,21-28,37-38H,19-20H2,1-12H3;2*1H;;/q;;;2*+1/p-2

This dataset contains experimental data from a sample (InChI=1S/C42H56N10.2ClH.2Cu/c1-39(2,3)33-21-25-49(45-33)37(50-26-22-34(46-50)40(4,5)6)31-17-13-15-29(43-31)19-20-30-16-14-18-32(44-30)38(51-27-23-35(47-51)41(7,8)9)52-28-24-36(48-52)42(10,11)12;;;;/h13-18,21-28,37-38H,19-20H2,1-12H3;2*1H;;/q;;;2*+1/p-2). The datasets from the following experiments are available: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) high-resolution electrospray ionisation mass spectrometry (HRESIMS) single crystal X-ray diffraction (single-crystal X-ray diffraction) X-ray diffraction (XRD)

本数据集包含某待测样品的实验表征数据，该样品的国际化学标识符（InChI）为：1S/C42H56N10.2ClH.2Cu/c1-39(2,3)33-21-25-49(45-33)37(50-26-22-34(46-50)40(4,5)6)31-17-13-15-29(43-31)19-20-30-16-14-18-32(44-30)38(51-27-23-35(47-51)41(7,8)9)52-28-24-36(48-52)42(10,11)12;;;;/h13-18,21-28,37-38H,19-20H2,1-12H3;2*1H;;/q;;;2*+1/p-2。本数据集可获取以下实验对应的表征数据：衰减全反射傅里叶变换红外光谱（attenuated total reflectance Fourier transform infrared spectroscopy, ATR-FTIR）、高分辨电喷雾电离质谱（high-resolution electrospray ionisation mass spectrometry, HRESIMS）、单晶X射线衍射（single-crystal X-ray diffraction）以及X射线衍射（X-ray diffraction, XRD）。