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2-Thioxo-5-[2-(trifluoromethyl)benzylidene]dihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID IKbxoUoUf1B
InChI InChI=1S/C12H7F3N2O2S/c13-12(14,15)8-4-2-1-3-6(8)5-7-9(18)16-11(20)17-10(7)19/h1-5H,(H2,16,17,18,19,20)
InChIKey DGEPDSRYOAWCSL-UHFFFAOYSA-N
Mol Weight 300.26 g/mol
Molecular Formula C12H7F3N2O2S
Exact Mass 300.018033 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQEDS1YmtuG
Name 2-Thioxo-5-[2-(trifluoromethyl)benzylidene]dihydro-4,6(1H,5H)-pyrimidinedione
Alternate Name(s) 2-sulfanylidene-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-diazinane-4,6-dione 2-Thioxo-5-[2-(trifluoromethyl)benzylidene]hexahydropyrimidine-4,6-quinone 2-Thioxo-5-[[2-(trifluoromethyl)phenyl]methylene]hexahydropyrimidine-4,6-dione Pyrimidine-4,6(3H,5H)-dione, 1,2-dihydro-5-(2-trifluoromethylbenzylideno)-2-thioxo-
CAS Registry Number 340028-63-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H7F3N2O2S
InChI InChI=1S/C12H7F3N2O2S/c13-12(14,15)8-4-2-1-3-6(8)5-7-9(18)16-11(20)17-10(7)19/h1-5H,(H2,16,17,18,19,20)
InChIKey DGEPDSRYOAWCSL-UHFFFAOYSA-N
Molecular Weight 300.255 g/mol
SMILES N1C(NC(C(C1=O)=Cc1c(C(F)(F)F)cccc1)=O)=S
SPLASH splash10-0g59-5930000000-a8e0795eb4c97d4f04f8
Source of Spectrum AD-0-2532-0
Wiley ID 1426439