13C nuclear magnetic resonance spectroscopy (13C NMR) ()
收藏Mendeley Data2024-03-27 更新2024-06-27 收录
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资源简介：
dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, acetonitrile, ppm): δ = 173.2 (Cq, CON), 172.2 (Cq, CON), 171.0 (Cq, CON), 170.8 (Cq, CON), 169.3 (Cq, CON), 163.3 (Cq, CON), 139.7 (Cq, Car), 138.0 (Cq, Car), 137.9 (Cq, Car), 137.5 (Cq, Car), 136.9 (Cq, Car), 136.1 (Cq, Car), 133.9 (Cq, Car), 133.5 (Cq, Car), 130.9 (+, 2 × CarH), 130.7 (+, CarH), 130.5 (+, CarH), 130.2 (+, CarH), 129.8 (+, CarH), 129.6 (+, CarH), 129.5 (+, 3 × CarH), 129.4 (+, 2 × CarH), 129.3 (+, 2 × CarH), 129.2 (+, 3 × CarH), 129.0 (+, 2 × CarH), 127.9 (+, CarH), 127.7 (+, CarH), 127.0 (+, CarH), 57.1 (+, phe-CαH), 55.5 (+, phe-CαH), 52.4 (–, COCH2N), 51.2 (–, COCH2N), 51.0 (–, COCH2N), 50.6 (–, COCH2N), 49.1 (–, N1phCl-CH2), 49.0 (–, N1phCl-CH2), 47.5 (–, N1phCl-CH2), 43.9 (–, N4am-C1H2), 40.1 (–, N4am-C4H2), 37.1 (–, phe-CH2), 37.0 (–, phe-CH2), 24.0 (–, N4am-C2H2), 22.9 (–, N4am-C3H2). Additional signals of the counterion trifluoroacetic acid: 170.9 (Cq, COOH), 161.2 (q, J = 35.0 Hz, Cq, CF3).The NMR spectrum contains multiple signal sets. Chemical shifts of the most prominent isomer are given.Signals of additional isomers: 173.15, 170.72, 168.29, 161.59, 161.31, 161.03, 160.75, 138.07, 137.98, 135.97, 135.59, 133.86, 133.42, 131.00, 130.95, 130.80, 130.70, 130.38, 130.23, 130.13, 130.04, 129.97, 129.92, 129.79, 129.71, 128.95, 127.68, 127.54, 127.18, 56.37, 55.08, 50.87, 37.68.Additional signals of unknown impurities: 118.7, 116.4, 36.6, 31.3
创建时间：
2023-06-28
