For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-[(2-Methyl-4-quinazolinyl)sulfanyl]propanoic acid
SpectraBase Compound ID ICyj1XJ3Rcm
InChI InChI=1S/C12H12N2O2S/c1-8-13-10-5-3-2-4-9(10)12(14-8)17-7-6-11(15)16/h2-5H,6-7H2,1H3,(H,15,16)
InChIKey BWOVZKBKWYSBAR-UHFFFAOYSA-N
Mol Weight 248.3 g/mol
Molecular Formula C12H12N2O2S
Exact Mass 248.061949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4YaFToHTp1r
Name 3-[(2-Methyl-4-quinazolinyl)sulfanyl]propanoic acid
CAS Registry Number 310421-94-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O2S
InChI InChI=1S/C12H12N2O2S/c1-8-13-10-5-3-2-4-9(10)12(14-8)17-7-6-11(15)16/h2-5H,6-7H2,1H3,(H,15,16)
InChIKey BWOVZKBKWYSBAR-UHFFFAOYSA-N
Molecular Weight 248.300 g/mol
SMILES OC(CCSc1nc(nc2ccccc12)C)=O
SPLASH splash10-0f96-2930000000-0c01940e7041ed6a4263
Source of Spectrum AD-0-2532-0
Synonyms 3-(2-Methylquinazolin-4-yl)sulfanylpropanoic acid 3-[(2-methyl-4-quinazolinyl)thio]propanoic acid 3-[(2-methylquinazolin-4-yl)thio]propionic acid Propanoic acid, 3-(2-methyl-4-quinazolinylthio)-
Wiley ID 1432243