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

*Links on SpectraBase are not permalinks.
4-(4-(Trifluoromethyl)phenyl)heptan-2-one
SpectraBase Compound ID AI8U1MndOz0
InChI InChI=1S/C14H17F3O/c1-3-4-12(9-10(2)18)11-5-7-13(8-6-11)14(15,16)17/h5-8,12H,3-4,9H2,1-2H3/t12-/m1/s1
InChIKey FGWKLEOOQWBIMD-GFCCVEGCSA-N
Mol Weight 258.28 g/mol
Molecular Formula C14H17F3O
Exact Mass 258.12315 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 76SFhyrNOxV
Name 4-(4-(Trifluoromethyl)phenyl)heptan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17F3O
InChI InChI=1S/C14H17F3O/c1-3-4-12(9-10(2)18)11-5-7-13(8-6-11)14(15,16)17/h5-8,12H,3-4,9H2,1-2H3/t12-/m1/s1
InChIKey FGWKLEOOQWBIMD-GFCCVEGCSA-N
Literature Reference DOI 10.1021/ol801665z
Molecular Weight 258.284 g/mol
SMILES c1c(ccc(c1)[C@](CCC)(CC(C)=O)[H])C(F)(F)F
SPLASH splash10-0k96-9580000000-160fcac7d27c10a9dcbd
Source of Spectrum A1-10-4101/SMS20-9de
Synonyms (R)-4-(4-(trifluoromethyl)phenyl)heptan-2-one
Wiley ID 1759839