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

*Links on SpectraBase are not permalinks.
1-[4-Nitro-2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole
SpectraBase Compound ID AtyC1adEVwW
InChI InChI=1S/C9H5F3N4O2/c10-9(11,12)7-3-6(16(17)18)1-2-8(7)15-5-13-4-14-15/h1-5H
InChIKey AGBRKMRLEYRLTR-UHFFFAOYSA-N
Mol Weight 258.16 g/mol
Molecular Formula C9H5F3N4O2
Exact Mass 258.03646 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 O3prszvJwh
Name 1-[4-Nitro-2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H5F3N4O2
InChI InChI=1S/C9H5F3N4O2/c10-9(11,12)7-3-6(16(17)18)1-2-8(7)15-5-13-4-14-15/h1-5H
InChIKey AGBRKMRLEYRLTR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/asia.201300969
Molecular Weight 258.160 g/mol
SMILES c1n[n](cn1)-c1c(cc(cc1)[N+](=O)[O-])C(F)(F)F
SPLASH splash10-0a4i-1490000000-3a91c2987ee951b5bfe5
Source of Spectrum CAJ-9-176-4m
Synonyms 1-(4-nitro-2-(trifluoromethyl)phenyl)-1H-1,2,4-triazole
Wiley ID 1772067