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

*Links on SpectraBase are not permalinks.

N-Butyl-3-(trifluoromethoxy)benzylamine

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

N-Butyl-3-(trifluoromethoxy)benzylamine
SpectraBase Compound ID 9B60c5bA77c
InChI InChI=1S/C12H16F3NO/c1-2-3-7-16-9-10-5-4-6-11(8-10)17-12(13,14)15/h4-6,8,16H,2-3,7,9H2,1H3
InChIKey QZYLNUJXCXOHOE-UHFFFAOYSA-N
Mol Weight 247.26 g/mol
Molecular Formula C12H16F3NO
Exact Mass 247.118399 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID E9SVcp8ZBiZ
Name N-Butyl-3-(trifluoromethoxy)benzylamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.118398627 u
Formula C12H16F3NO
InChI InChI=1S/C12H16F3NO/c1-2-3-7-16-9-10-5-4-6-11(8-10)17-12(13,14)15/h4-6,8,16H,2-3,7,9H2,1H3
InChIKey QZYLNUJXCXOHOE-UHFFFAOYSA-N
Molecular Weight 247.261 g/mol
SMILES C1(OC(F)(F)F)=CC(CNCCCC)=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.889511