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6-Phenyl-2-thioxo-1-[3-(trifluoromethyl)phenyl]tetrahydro-4(1H)-pyrimidinone
SpectraBase Compound ID IMZwUDRZG3K
InChI InChI=1S/C17H13F3N2OS/c18-17(19,20)12-7-4-8-13(9-12)22-14(10-15(23)21-16(22)24)11-5-2-1-3-6-11/h1-9,14H,10H2,(H,21,23,24)
InChIKey RKMXSXWZBZNLPE-UHFFFAOYSA-N
Mol Weight 350.36 g/mol
Molecular Formula C17H13F3N2OS
Exact Mass 350.070069 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVYvKiWgvMq
Name 6-Phenyl-2-thioxo-1-[3-(trifluoromethyl)phenyl]tetrahydro-4(1H)-pyrimidinone
CAS Registry Number 115983-03-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13F3N2OS
InChI InChI=1S/C17H13F3N2OS/c18-17(19,20)12-7-4-8-13(9-12)22-14(10-15(23)21-16(22)24)11-5-2-1-3-6-11/h1-9,14H,10H2,(H,21,23,24)
InChIKey RKMXSXWZBZNLPE-UHFFFAOYSA-N
Molecular Weight 350.359 g/mol
SMILES N1C(CC(N(C1=S)c1cc(C(F)(F)F)ccc1)c1ccccc1)=O
SPLASH splash10-0ue9-3922000000-2af392daf2269d0ad131
Source of Spectrum AD-0-2532-0
Synonyms 6-Phenyl-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-1,3-diazinan-4-one 6-Phenyl-2-thioxo-1-[3-(trifluoromethyl)phenyl]hexahydropyrimidin-4-one Pyrimidin-4-one, hexahydro-1-(3-trifluoromethylphenyl)-6-phenyl-2-thioxo-
Wiley ID 1433164