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1-[3-(Trifluoromethyl)phenyl]-1H-1,2,4-triazole
SpectraBase Compound ID KpppnsuaxiR
InChI InChI=1S/C9H6F3N3/c10-9(11,12)7-2-1-3-8(4-7)15-6-13-5-14-15/h1-6H
InChIKey KYFPNOCGSUJDCT-UHFFFAOYSA-N
Mol Weight 213.16 g/mol
Molecular Formula C9H6F3N3
Exact Mass 213.051382 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48eBwbiU4W
Name 1-[3-(Trifluoromethyl)phenyl]-1H-1,2,4-triazole
Appearance Brown solid
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Formula C9H6F3N3
InChI InChI=1S/C9H6F3N3/c10-9(11,12)7-2-1-3-8(4-7)15-6-13-5-14-15/h1-6H
InChIKey KYFPNOCGSUJDCT-UHFFFAOYSA-N
Instrument Name JEOL JMS-HX110
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201801808
Molecular Weight 213.163 g/mol
Reported Formula C9H6F3N3
SMILES c1(cc(C(F)(F)F)ccc1)-[n]1ncnc1
SPLASH splash10-0bt9-0950000000-e47b67dd46fecd30cd6e
Source of Spectrum U1-2019-1761-3c
Wiley ID 1846119