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3-Hydroxy-5-(methylsulfanyl)-4-isothiazolecarbonitrile
SpectraBase Compound ID HxfBhEcRHk1
InChI InChI=1S/C5H4N2OS2/c1-9-5-3(2-6)4(8)7-10-5/h1H3,(H,7,8)
InChIKey DMKPBSKKJZGMPL-UHFFFAOYSA-N
Mol Weight 172.22 g/mol
Molecular Formula C5H4N2OS2
Exact Mass 171.976505 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HlHHPaBNQyE
Name 3-hydroxy-5-(methylsulfanyl)-4-isothiazolecarbonitrile
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/C5H4N2OS2/c1-9-5-3(2-6)4(8)7-10-5/h1H3,(H,7,8)
InChIKey DMKPBSKKJZGMPL-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_3985
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/8231112; Labnumber: L-12,Chunihin; IOH_ID: IOH-003986
Temperature 297 °C