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homocysteine, N-[(2Z)-2-[(4-methoxybenzoyl)amino]-3-(4-nitrophenyl)-1-oxo-2-propenyl]-S-methyl-
SpectraBase Compound ID DOHkJX571Ic
InChI InChI=1S/C22H23N3O7S/c1-32-17-9-5-15(6-10-17)20(26)24-19(13-14-3-7-16(8-4-14)25(30)31)21(27)23-18(22(28)29)11-12-33-2/h3-10,13,18H,11-12H2,1-2H3,(H,23,27)(H,24,26)(H,28,29)/b19-13-
InChIKey VSBHMDXHSMCLQI-UYRXBGFRSA-N
Mol Weight 473.5 g/mol
Molecular Formula C22H23N3O7S
Exact Mass 473.125671 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 30hwX3RUQu8
Name homocysteine, N-[(2Z)-2-[(4-methoxybenzoyl)amino]-3-(4-nitrophenyl)-1-oxo-2-propenyl]-S-methyl-
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/C22H23N3O7S/c1-32-17-9-5-15(6-10-17)20(26)24-19(13-14-3-7-16(8-4-14)25(30)31)21(27)23-18(22(28)29)11-12-33-2/h3-10,13,18H,11-12H2,1-2H3,(H,23,27)(H,24,26)(H,28,29)/b19-13-
InChIKey VSBHMDXHSMCLQI-UYRXBGFRSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_3400
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: NMR/11278314