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N-{(2Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]-2-propenoyl}(methyl)homocysteine
SpectraBase Compound ID 6rWp1Qp4fda
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
Mol Weight 472.51 g/mol
Molecular Formula C23H24N2O7S
Exact Mass 472.130422 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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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