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homocysteine, N-[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]-S-methyl-
SpectraBase Compound ID Hp1OXOt3XlW
InChI InChI=1S/C16H17ClN2O4S/c1-9-13(15(20)18-12(16(21)22)7-8-24-2)14(19-23-9)10-5-3-4-6-11(10)17/h3-6,12H,7-8H2,1-2H3,(H,18,20)(H,21,22)
InChIKey CZNSXXIARWZNBS-UHFFFAOYSA-N
Mol Weight 368.84 g/mol
Molecular Formula C16H17ClN2O4S
Exact Mass 368.059756 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HjGL2w0Y1ev
Name homocysteine, N-[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]-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/C16H17ClN2O4S/c1-9-13(15(20)18-12(16(21)22)7-8-24-2)14(19-23-9)10-5-3-4-6-11(10)17/h3-6,12H,7-8H2,1-2H3,(H,18,20)(H,21,22)
InChIKey CZNSXXIARWZNBS-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_5033
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/12218185