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2-{[4-cyano-5-(methylsulfanyl)-3-isothiazolyl]sulfanyl}acetamide
SpectraBase Compound ID ERdSZFV8Zxl
InChI InChI=1S/C7H7N3OS3/c1-12-7-4(2-8)6(10-14-7)13-3-5(9)11/h3H2,1H3,(H2,9,11)
InChIKey YNUXXVYWLRMLJK-UHFFFAOYSA-N
Mol Weight 245.33 g/mol
Molecular Formula C7H7N3OS3
Exact Mass 244.975125 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DtBvT2jHiC2
Name 2-{[4-cyano-5-(methylsulfanyl)-3-isothiazolyl]sulfanyl}acetamide
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/C7H7N3OS3/c1-12-7-4(2-8)6(10-14-7)13-3-5(9)11/h3H2,1H3,(H2,9,11)
InChIKey YNUXXVYWLRMLJK-UHFFFAOYSA-N
NMR Offset 16.4447
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_3011
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: TSH/5634026; IOH_ID: IOH-003012
Temperature 297 °C