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1,2,4-Triazine-6-carbonitrile, 2,3,4,5-tetrahydro-5-imino-4-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-
SpectraBase Compound ID LSdhA4Jvjn2
InChI InChI=1S/C12H8F3N5O/c1-19-10(17)9(6-16)18-20(11(19)21)8-4-2-3-7(5-8)12(13,14)15/h2-5,17H,1H3
InChIKey IGAKNIHSDALJHL-UHFFFAOYSA-N
Mol Weight 295.23 g/mol
Molecular Formula C12H8F3N5O
Exact Mass 295.068094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6zOgJEvNFaO
Name 1,2,4-Triazine-6-carbonitrile, 2,3,4,5-tetrahydro-5-imino-4-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-
CAS Registry Number 66706-85-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8F3N5O
InChI InChI=1S/C12H8F3N5O/c1-19-10(17)9(6-16)18-20(11(19)21)8-4-2-3-7(5-8)12(13,14)15/h2-5,17H,1H3
InChIKey IGAKNIHSDALJHL-UHFFFAOYSA-N
Molecular Weight 295.225 g/mol
SMILES N=C1C(=NN(C(N1C)=O)c1cc(C(F)(F)F)ccc1)C#N
SPLASH splash10-0002-0920000000-19df54efca6cbf130cd6
Source of Spectrum H-61-1177-0
Synonyms 2-(3-Trifluoromethylphenyl)-3-oxo-4-methyl-5-imino-6-cyano-2,3,4,5-tetrahydro-1,2,4-triazine 5-imino-4-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
Wiley ID 1297955