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2-(2-Methylquinazolin-4-yl)sulfanylacetic acid
SpectraBase Compound ID FqWdxqA32j1
InChI InChI=1S/C11H10N2O2S/c1-7-12-9-5-3-2-4-8(9)11(13-7)16-6-10(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKey GMVLSQSAOMOCGQ-UHFFFAOYSA-N
Mol Weight 234.27 g/mol
Molecular Formula C11H10N2O2S
Exact Mass 234.046299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3ajgSsoxRx
Name 2-(2-Methylquinazolin-4-yl)sulfanylacetic acid
Alternate Name(s) 2-(2-Methylquinazolin-4-yl)sulfanylethanoic acid 2-[(2-methyl-4-quinazolinyl)thio]acetic acid 2-[(2-methylquinazolin-4-yl)thio]acetic acid
CAS Registry Number 95616-38-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10N2O2S
InChI InChI=1S/C11H10N2O2S/c1-7-12-9-5-3-2-4-8(9)11(13-7)16-6-10(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKey GMVLSQSAOMOCGQ-UHFFFAOYSA-N
Molecular Weight 234.273 g/mol
SMILES OC(CSc1nc(C)nc2c1cccc2)=O
SPLASH splash10-0006-0900000000-b0c91e89b97f7b02b37c
Source of Spectrum J-50-1673-0
Wiley ID 1235604