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2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetic acid
SpectraBase Compound ID 9uPet2j3Rj8
InChI InChI=1S/C11H7F3N2O2S/c12-11(13,14)10-15-7-4-2-1-3-6(7)9(16-10)19-5-8(17)18/h1-4H,5H2,(H,17,18)
InChIKey USHBBUVBDHPUJK-UHFFFAOYSA-N
Mol Weight 288.24 g/mol
Molecular Formula C11H7F3N2O2S
Exact Mass 288.018033 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 91KvsHKhcxt
Name 2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetic acid
CAS Registry Number 95616-40-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7F3N2O2S
InChI InChI=1S/C11H7F3N2O2S/c12-11(13,14)10-15-7-4-2-1-3-6(7)9(16-10)19-5-8(17)18/h1-4H,5H2,(H,17,18)
InChIKey USHBBUVBDHPUJK-UHFFFAOYSA-N
Molecular Weight 288.244 g/mol
SMILES OC(CSc1nc(nc2c1cccc2)C(F)(F)F)=O
SPLASH splash10-0006-3090000000-7fbdf38c0b45f4675431
Source of Spectrum J-50-1673-0
Synonyms 2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoic acid 2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetic acid 2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetic acid
Wiley ID 1291238