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homocysteine, N-[(2Z)-2-(benzoylamino)-1-oxo-3-phenyl-2-propenyl]-S-methyl-
SpectraBase Compound ID 88Uc3YokWTb
InChI InChI=1S/C21H22N2O4S/c1-28-13-12-17(21(26)27)22-20(25)18(14-15-8-4-2-5-9-15)23-19(24)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,22,25)(H,23,24)(H,26,27)/b18-14-
InChIKey JQOCZYXSNHPMAR-JXAWBTAJSA-N
Mol Weight 398.48 g/mol
Molecular Formula C21H22N2O4S
Exact Mass 398.130028 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kcb7U0LrrYl
Name homocysteine, N-[(2Z)-2-(benzoylamino)-1-oxo-3-phenyl-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/C21H22N2O4S/c1-28-13-12-17(21(26)27)22-20(25)18(14-15-8-4-2-5-9-15)23-19(24)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,22,25)(H,23,24)(H,26,27)/b18-14-
InChIKey JQOCZYXSNHPMAR-JXAWBTAJSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6720
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/10278737