For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Methyl 1-[3-(Trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylate
SpectraBase Compound ID ATjbgKv9Y85
InChI InChI=1S/C11H8F3N3O2/c1-19-10(18)9-15-6-17(16-9)8-4-2-3-7(5-8)11(12,13)14/h2-6H,1H3
InChIKey NUEXHMFKBJHJGG-UHFFFAOYSA-N
Mol Weight 271.2 g/mol
Molecular Formula C11H8F3N3O2
Exact Mass 271.056861 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LWran8qf1LK
Name Methyl 1-[3-(Trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylate
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8F3N3O2
InChI InChI=1S/C11H8F3N3O2/c1-19-10(18)9-15-6-17(16-9)8-4-2-3-7(5-8)11(12,13)14/h2-6H,1H3
InChIKey NUEXHMFKBJHJGG-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)-c1cccc(c1)C(F)(F)F
SPLASH splash10-06xx-0390000000-1adcf4e94c2073ff9480
Source of Spectrum U1-2019-1759-2c
Wiley ID 1846107