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2-pyrazinecarboxylic acid, 3-[[(3-chloro-4-fluorophenyl)amino]carbonyl]-
SpectraBase Compound ID CCAiEStV1pW
InChI InChI=1S/C12H7ClFN3O3/c13-7-5-6(1-2-8(7)14)17-11(18)9-10(12(19)20)16-4-3-15-9/h1-5H,(H,17,18)(H,19,20)
InChIKey KLPWOBJXXJKDFF-UHFFFAOYSA-N
Mol Weight 295.66 g/mol
Molecular Formula C12H7ClFN3O3
Exact Mass 295.015997 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E3MRo9bGCT1
Name 2-pyrazinecarboxylic acid, 3-[[(3-chloro-4-fluorophenyl)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 295.015996957 u
Formula C12H7ClFN3O3
InChI InChI=1S/C12H7ClFN3O3/c13-7-5-6(1-2-8(7)14)17-11(18)9-10(12(19)20)16-4-3-15-9/h1-5H,(H,17,18)(H,19,20)
InChIKey KLPWOBJXXJKDFF-UHFFFAOYSA-N
Molecular Weight 295.657 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_6651
Solvent DMSO-d6
Source Vendor ID: NMR/12709887