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Methyl 1-[4-(Trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylate
SpectraBase Compound ID HXSZILFotYT
InChI InChI=1S/C11H8F3N3O2/c1-19-10(18)9-15-6-17(16-9)8-4-2-7(3-5-8)11(12,13)14/h2-6H,1H3
InChIKey ISYXCPWKGNOSEJ-UHFFFAOYSA-N
Mol Weight 271.2 g/mol
Molecular Formula C11H8F3N3O2
Exact Mass 271.056861 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5MOIy0KtbqE
Name Methyl 1-[4-(Trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylate
Appearance Light yellow solid
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Formula C11H8F3N3O2
InChI InChI=1S/C11H8F3N3O2/c1-19-10(18)9-15-6-17(16-9)8-4-2-7(3-5-8)11(12,13)14/h2-6H,1H3
InChIKey ISYXCPWKGNOSEJ-UHFFFAOYSA-N
Instrument Name JEOL JMS-HX110
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201801808
Molecular Weight 271.199 g/mol
Reported Formula C11H8F3N3O2
SMILES COC(=O)c1n[n](cn1)-c1ccc(cc1)C(F)(F)F
SPLASH splash10-01vo-0390000000-4bdbbdce54dc19cbe577
Source of Spectrum U1-2019-1759-2d
Wiley ID 1846108