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

*Links on SpectraBase are not permalinks.

3-tert-Butyl-1-(p-tolyl)-5-[4-(trifluoromethyl)phenyl]pentane-1,5-dione

View entire compound with spectra: 1 NMR, and 2 MS (GC)

3-tert-Butyl-1-(p-tolyl)-5-[4-(trifluoromethyl)phenyl]pentane-1,5-dione
SpectraBase Compound ID JWyLz143AzM
InChI InChI=1S/C23H25F3O2/c1-15-5-7-16(8-6-15)20(27)13-19(22(2,3)4)14-21(28)17-9-11-18(12-10-17)23(24,25)26/h5-12,19H,13-14H2,1-4H3
InChIKey CARAIZGSAQFLPO-UHFFFAOYSA-N
Mol Weight 390.45 g/mol
Molecular Formula C23H25F3O2
Exact Mass 390.180665 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID JRsBqgP4ZVX
Name 3-T-Butyl-1-p-tolyl-5-(4-trifluoromethyl-phenyl)-pentane-1,5-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.180664532 u
Formula C23H25F3O2
InChI InChI=1S/C23H25F3O2/c1-15-5-7-16(8-6-15)20(27)13-19(22(2,3)4)14-21(28)17-9-11-18(12-10-17)23(24,25)26/h5-12,19H,13-14H2,1-4H3
InChIKey CARAIZGSAQFLPO-UHFFFAOYSA-N
Molecular Weight 390.446 g/mol
SMILES CC(C)(C)C(CC(=O)C1=CC=C(C(F)(F)F)C=C1)CC(=O)C1=CC=C(C=C1)C