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2-Mercapto-3-(3-trifluoromethyl-phenyl)-3H-quinazolin-4-one
SpectraBase Compound ID IuS1ccYGgJl
InChI InChI=1S/C15H9F3N2OS/c16-15(17,18)9-4-3-5-10(8-9)20-13(21)11-6-1-2-7-12(11)19-14(20)22/h1-8H,(H,19,22)
InChIKey YUXDGVQAVUZOSI-UHFFFAOYSA-N
Mol Weight 322.31 g/mol
Molecular Formula C15H9F3N2OS
Exact Mass 322.038769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1DQyuIiHvNS
Name 2-Mercapto-3-(3-trifluoromethyl-phenyl)-3H-quinazolin-4-one
Alternate Name(s) 2-Sulfanyl-3-[3-(trifluoromethyl)phenyl]-4(3H)-quinazolinone 2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-4-one 2-Thioxo-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H9F3N2OS
InChI InChI=1S/C15H9F3N2OS/c16-15(17,18)9-4-3-5-10(8-9)20-13(21)11-6-1-2-7-12(11)19-14(20)22/h1-8H,(H,19,22)
InChIKey YUXDGVQAVUZOSI-UHFFFAOYSA-N
Molecular Weight 322.305 g/mol
SMILES SC=1N(C(c2c(cccc2)N1)=O)c1cc(C(F)(F)F)ccc1
SPLASH splash10-00di-9715000000-701c5e897f04e077c742
Wiley ID 1454887