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[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetic acid
SpectraBase Compound ID 9XFOXk4w1AL
InChI InChI=1S/C9H8N2O2S/c1-6-2-3-7(4-10)9(11-6)14-5-8(12)13/h2-3H,5H2,1H3,(H,12,13)
InChIKey QYCYSQBOJXUZOE-UHFFFAOYSA-N
Mol Weight 208.23 g/mol
Molecular Formula C9H8N2O2S
Exact Mass 208.030649 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AwWFEe53cbn
Name [(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetic 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/C9H8N2O2S/c1-6-2-3-7(4-10)9(11-6)14-5-8(12)13/h2-3H,5H2,1H3,(H,12,13)
InChIKey QYCYSQBOJXUZOE-UHFFFAOYSA-N
NMR Offset 16.1752
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Origin 1H_ASIOH_7529_742
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: ZI/8161796; Labnumber: TSH-rn00331
Temperature 313 °C