SpectraBase Spectrum ID |
GRRgscJhbsD |
Name |
N-{(2Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]-2-propenoyl}(methyl)homocysteine |
Author |
A.V.Yarkov, IPAC, Russia |
Copyright |
Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved. |
InChI |
InChI=1S/C23H24N2O7S/c1-30-18-6-4-3-5-15(18)21(26)25-17(22(27)24-16(23(28)29)9-10-33-2)11-14-7-8-19-20(12-14)32-13-31-19/h3-8,11-12,16H,9-10,13H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)/b17-11- |
InChIKey |
KGRUHCGTGQQPCM-BOPFTXTBSA-N |
NMR Offset |
15.3537 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Origin |
1H_UBI-VK_18310_11152 |
Owner |
Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc. |
Sample State |
soluted |
Solvent |
DMSO-d6 |
Source File Reference |
VendorID: 802392; Labnumber: AEGU8-1011; VK_ID: VK-011156 |
Synonyms |
N-{3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]-2-propenoyl}(methyl)homocysteine |
Temperature |
308 °C |