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2-pyrazinecarboxylic acid, 3-[[(2-chloro-4-methylphenyl)amino]carbonyl]-
SpectraBase Compound ID HAd2XLtXn5K
InChI InChI=1S/C13H10ClN3O3/c1-7-2-3-9(8(14)6-7)17-12(18)10-11(13(19)20)16-5-4-15-10/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKey RSQIOAYFDUUGQM-UHFFFAOYSA-N
Mol Weight 291.69 g/mol
Molecular Formula C13H10ClN3O3
Exact Mass 291.041069 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6ZDK63hxY4m
Name 2-pyrazinecarboxylic acid, 3-[[(2-chloro-4-methylphenyl)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 291.041068891 u
Formula C13H10ClN3O3
InChI InChI=1S/C13H10ClN3O3/c1-7-2-3-9(8(14)6-7)17-12(18)10-11(13(19)20)16-5-4-15-10/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKey RSQIOAYFDUUGQM-UHFFFAOYSA-N
Molecular Weight 291.694 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_6820
Solvent DMSO-d6
Source Vendor ID: NMR/12718209