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3-amino-6-oxo-2-{[3-(trifluoromethyl)anilino]carbonyl}-6,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid
SpectraBase Compound ID BfczaqI6sz3
InChI InChI=1S/C16H10F3N3O4S/c17-16(18,19)6-2-1-3-7(4-6)21-13(24)11-10(20)8-5-9(15(25)26)12(23)22-14(8)27-11/h1-5H,20H2,(H,21,24)(H,22,23)(H,25,26)
InChIKey ZAQRBAUCIYDIDT-UHFFFAOYSA-N
Mol Weight 397.33 g/mol
Molecular Formula C16H10F3N3O4S
Exact Mass 397.034411 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JpDY0EPfwb9
Name 3-amino-6-oxo-2-{[3-(trifluoromethyl)anilino]carbonyl}-6,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.034411473 u
Formula C16H10F3N3O4S
InChI InChI=1S/C16H10F3N3O4S/c17-16(18,19)6-2-1-3-7(4-6)21-13(24)11-10(20)8-5-9(15(25)26)12(23)22-14(8)27-11/h1-5H,20H2,(H,21,24)(H,22,23)(H,25,26)
InChIKey ZAQRBAUCIYDIDT-UHFFFAOYSA-N
Molecular Weight 397.328 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_2527
Solvent DMSO-d6
Source Vendor ID: NMR/12279577