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4-Isothiazolecarboxylic acid, 3,5-bis(methylthio)-
SpectraBase Compound ID GideVHY0pYs
InChI InChI=1S/C6H7NO2S3/c1-10-4-3(5(8)9)6(11-2)12-7-4/h1-2H3,(H,8,9)
InChIKey IQFPLSISGDGBMJ-UHFFFAOYSA-N
Mol Weight 221.31 g/mol
Molecular Formula C6H7NO2S3
Exact Mass 220.963892 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3ZvluN9QCwx
Name 3,5-bis(methylsulfanyl)-4-isothiazolecarboxylic acid
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/C6H7NO2S3/c1-10-4-3(5(8)9)6(11-2)12-7-4/h1-2H3,(H,8,9)
InChIKey IQFPLSISGDGBMJ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29604
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: 1011505; SBI_ID: SBI-029608
Temperature 306 °C