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4-isothiazolecarboxylic acid, 3-methyl-, methyl ester
SpectraBase Compound ID BeDHZUAklbO
InChI InChI=1S/C6H7NO2S/c1-4-5(3-10-7-4)6(8)9-2/h3H,1-2H3
InChIKey WRMHNLBOWDEAGK-UHFFFAOYSA-N
Mol Weight 157.19 g/mol
Molecular Formula C6H7NO2S
Exact Mass 157.01975 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1mn2MNg8di2
Name 4-isothiazolecarboxylic acid, 3-methyl-, methyl ester
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/C6H7NO2S/c1-4-5(3-10-7-4)6(8)9-2/h3H,1-2H3
InChIKey WRMHNLBOWDEAGK-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_7306
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/18301364; Labnumber: TIT-0000001