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4-(4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)butanoic acid

View entire compound with spectra: 2 NMR

4-(4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)butanoic acid
SpectraBase Compound ID CHmgr74W01P
InChI InChI=1S/C12H12N2O3S/c15-10(16)6-3-7-14-11(17)8-4-1-2-5-9(8)13-12(14)18/h1-2,4-5H,3,6-7H2,(H,13,18)(H,15,16)
InChIKey MSINSMOFQBHROJ-UHFFFAOYSA-N
Mol Weight 264.3 g/mol
Molecular Formula C12H12N2O3S
Exact Mass 264.056863 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9ouOFo5RjqO
Name 4-(4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)butanoic 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 264.056863425 u
Formula C12H12N2O3S
InChI InChI=1S/C12H12N2O3S/c15-10(16)6-3-7-14-11(17)8-4-1-2-5-9(8)13-12(14)18/h1-2,4-5H,3,6-7H2,(H,13,18)(H,15,16)
InChIKey MSINSMOFQBHROJ-UHFFFAOYSA-N
Molecular Weight 264.299 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_4941
Solvent DMSO-d6
Source Vendor ID: NMR/12318120