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

*Links on SpectraBase are not permalinks.

3,5-Hexadien-1-in, 1,3,6-triphenyl-, (Z,E)-

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

3,5-Hexadien-1-in, 1,3,6-triphenyl-, (Z,E)-
SpectraBase Compound ID DLXemqEG3cJ
InChI InChI=1S/C24H22/c1-4-11-21(12-5-1)15-10-18-24(23-16-8-3-9-17-23)20-19-22-13-6-2-7-14-22/h1-9,11-14,16-17,24H,10,15,18H2
InChIKey ICLVTJNRXKFZQI-UHFFFAOYSA-N
Mol Weight 310.44 g/mol
Molecular Formula C24H22
Exact Mass 310.172151 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 DNb8fIsJuKd
Name 3,5-Hexadien-1-in, 1,3,6-triphenyl-, (Z,E)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.172150708 u
Formula C24H22
InChI InChI=1S/C24H22/c1-4-11-21(12-5-1)15-10-18-24(23-16-8-3-9-17-23)20-19-22-13-6-2-7-14-22/h1-9,11-14,16-17,24H,10,15,18H2
InChIKey ICLVTJNRXKFZQI-UHFFFAOYSA-N
Molecular Weight 310.440 g/mol
Nominal Mass 310 u
SMILES C(c1ccccc1)#CC(CCCc1ccccc1)c1ccccc1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.979887