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

*Links on SpectraBase are not permalinks.

(E)-1,5-Bis(4-tert-butylphenyl)pent-1-en-3-one

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

(E)-1,5-Bis(4-tert-butylphenyl)pent-1-en-3-one
SpectraBase Compound ID BzkIXSml5na
InChI InChI=1S/C25H32O/c1-24(2,3)21-13-7-19(8-14-21)11-17-23(26)18-12-20-9-15-22(16-10-20)25(4,5)6/h7-11,13-17H,12,18H2,1-6H3/b17-11+
InChIKey YZQIPRVYLMEIMF-GZTJUZNOSA-N
Mol Weight 348.5 g/mol
Molecular Formula C25H32O
Exact Mass 348.245316 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID EVWR9nLjXL9
Name (E)-1,5-bis(4-Tert-butylphenyl)pent-1-en-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.245315649 u
Formula C25H32O
InChI InChI=1S/C25H32O/c1-24(2,3)21-13-7-19(8-14-21)11-17-23(26)18-12-20-9-15-22(16-10-20)25(4,5)6/h7-11,13-17H,12,18H2,1-6H3/b17-11+
InChIKey YZQIPRVYLMEIMF-GZTJUZNOSA-N
Molecular Weight 348.530 g/mol
SMILES C(\C=C\C=1C=CC(=CC1)C(C)(C)C)(CCC=1C=CC(=CC1)C(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962724