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2-pyrazinecarboxylic acid, 3-[[[3-(methylthio)phenyl]amino]carbonyl]-
SpectraBase Compound ID 4DlIN1tiWRd
InChI InChI=1S/C13H11N3O3S/c1-20-9-4-2-3-8(7-9)16-12(17)10-11(13(18)19)15-6-5-14-10/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKey RQOAYTDJZLXJFR-UHFFFAOYSA-N
Mol Weight 289.31 g/mol
Molecular Formula C13H11N3O3S
Exact Mass 289.052112 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1OZC6v4yA2I
Name 2-pyrazinecarboxylic acid, 3-[[[3-(methylthio)phenyl]amino]carbonyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.052112397 u
Formula C13H11N3O3S
InChI InChI=1S/C13H11N3O3S/c1-20-9-4-2-3-8(7-9)16-12(17)10-11(13(18)19)15-6-5-14-10/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKey RQOAYTDJZLXJFR-UHFFFAOYSA-N
Molecular Weight 289.309 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_8541
Solvent DMSO-d6
Source Vendor ID: NMR/12719770