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1-[4-(Trifluoromethyl)phenyl]-1H-1,2,4-triazole
SpectraBase Compound ID 7ERREkyBwJK
InChI InChI=1S/C9H6F3N3/c10-9(11,12)7-1-3-8(4-2-7)15-6-13-5-14-15/h1-6H
InChIKey LLQIAOLMRBUTSS-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 3cNoQzxFvbu
Name 1-[4-(Trifluoromethyl)phenyl]-1H-1,2,4-triazole
Appearance Brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6F3N3
InChI InChI=1S/C9H6F3N3/c10-9(11,12)7-1-3-8(4-2-7)15-6-13-5-14-15/h1-6H
InChIKey LLQIAOLMRBUTSS-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 C8H6FN3
SMILES c1(ccc(C(F)(F)F)cc1)-[n]1ncnc1
SPLASH splash10-0bt9-0950000000-18ba610e2a24d364084a
Source of Spectrum U1-2019-1761-3d
Wiley ID 1846120