For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
homocysteine, N-[(2Z)-2-[(2-furanylcarbonyl)amino]-3-(4-methoxyphenyl)-1-oxo-2-propenyl]-S-methyl-
SpectraBase Compound ID DTBHtumVOB2
InChI InChI=1S/C20H22N2O6S/c1-27-14-7-5-13(6-8-14)12-16(22-19(24)17-4-3-10-28-17)18(23)21-15(20(25)26)9-11-29-2/h3-8,10,12,15H,9,11H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)/b16-12-
InChIKey JPIGLHDGUKAERX-VBKFSLOCSA-N
Mol Weight 418.46 g/mol
Molecular Formula C20H22N2O6S
Exact Mass 418.119858 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BYIpqxx5WM3
Name homocysteine, N-[(2Z)-2-[(2-furanylcarbonyl)amino]-3-(4-methoxyphenyl)-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/C20H22N2O6S/c1-27-14-7-5-13(6-8-14)12-16(22-19(24)17-4-3-10-28-17)18(23)21-15(20(25)26)9-11-29-2/h3-8,10,12,15H,9,11H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)/b16-12-
InChIKey JPIGLHDGUKAERX-VBKFSLOCSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_70
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/10318307