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

*Links on SpectraBase are not permalinks.

4-[4-(Trifluoromethyl)phenyl]pentan-2-one

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

4-[4-(Trifluoromethyl)phenyl]pentan-2-one
SpectraBase Compound ID DUZRRzbmtJZ
InChI InChI=1S/C12H13F3O/c1-8(7-9(2)16)10-3-5-11(6-4-10)12(13,14)15/h3-6,8H,7H2,1-2H3
InChIKey RPFCNBLAYZFQQN-UHFFFAOYSA-N
Mol Weight 230.23 g/mol
Molecular Formula C12H13F3O
Exact Mass 230.09185 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 FAmnq37q1HO
Name 4-[4-(Trifluoromethyl)phenyl]pentan-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.091849527 u
Formula C12H13F3O
InChI InChI=1S/C12H13F3O/c1-8(7-9(2)16)10-3-5-11(6-4-10)12(13,14)15/h3-6,8H,7H2,1-2H3
InChIKey RPFCNBLAYZFQQN-UHFFFAOYSA-N
Molecular Weight 230.230 g/mol
SMILES C(C1=CC=C(C=C1)C(CC(=O)C)C)(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951812