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benzoic acid, 4-[(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)methyl]-
SpectraBase Compound ID 8JrcaBzHcJL
InChI InChI=1S/C16H12N2O3S/c19-14-12-3-1-2-4-13(12)17-16(22)18(14)9-10-5-7-11(8-6-10)15(20)21/h1-8H,9H2,(H,17,22)(H,20,21)
InChIKey FJVVHJQAUCPBBN-UHFFFAOYSA-N
Mol Weight 312.34 g/mol
Molecular Formula C16H12N2O3S
Exact Mass 312.056863 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4EHAXGXi5gI
Name 4-[(4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)methyl]benzoic 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 312.056863425 u
Formula C16H12N2O3S
InChI InChI=1S/C16H12N2O3S/c19-14-12-3-1-2-4-13(12)17-16(22)18(14)9-10-5-7-11(8-6-10)15(20)21/h1-8H,9H2,(H,17,22)(H,20,21)
InChIKey FJVVHJQAUCPBBN-UHFFFAOYSA-N
Molecular Weight 312.343 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_4942
Solvent DMSO-d6
Source Vendor ID: NMR/12318121