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 |