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

*Links on SpectraBase are not permalinks.
4-(3'-trifluoromethylbenzyl)-3-nitrobenzonitrile
SpectraBase Compound ID 2IDooGz2AyU
InChI InChI=1S/C15H9F3N2O2/c16-15(17,18)13-3-1-2-10(7-13)6-12-5-4-11(9-19)8-14(12)20(21)22/h1-5,7-8H,6H2
InChIKey YATGEOZUCMSBJF-UHFFFAOYSA-N
Mol Weight 306.24 g/mol
Molecular Formula C15H9F3N2O2
Exact Mass 306.061612 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 7dI8kC28TaI
Name 4-(3'-trifluoromethylbenzyl)-3-nitrobenzonitrile
Alternate Name(s) 3-Nitro-4-(3-(trifluoromethyl)benzyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H9F3N2O2
InChI InChI=1S/C15H9F3N2O2/c16-15(17,18)13-3-1-2-10(7-13)6-12-5-4-11(9-19)8-14(12)20(21)22/h1-5,7-8H,6H2
InChIKey YATGEOZUCMSBJF-UHFFFAOYSA-N
Molecular Weight 306.244 g/mol
SMILES C(c1cc(c(cc1)Cc1cc(ccc1)C(F)(F)F)[N+](=O)[O-])#N
SPLASH splash10-052o-0393000000-e4b3b07935da9b99bfac
Source of Spectrum ASC-361-SM10-10d4
Wiley ID 1814049