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

*Links on SpectraBase are not permalinks.

Benzene, (1,5-cyclohexadien-1-ylethynyl)-

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

Benzene, (1,5-cyclohexadien-1-ylethynyl)-
SpectraBase Compound ID 4slIfnPERT4
InChI InChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1,3-5,7-10H,2,6H2
InChIKey YNODBSANKBYKMZ-UHFFFAOYSA-N
Mol Weight 180.25 g/mol
Molecular Formula C14H12
Exact Mass 180.0939 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 B2xK71tFczA
Name Benzene, (1,5-cyclohexadien-1-ylethynyl)-
CAS Registry Number 97861-79-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12
InChI InChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1,3-5,7-10H,2,6H2
InChIKey YNODBSANKBYKMZ-UHFFFAOYSA-N
Molecular Weight 180.250 g/mol
SMILES C(#Cc1ccccc1)C=1C=CCCC1
SPLASH splash10-00pi-0900000000-33768bb479f01b506d74
Source of Spectrum J-50-3908-34
Synonyms (1,5-cyclohexadien-1-ylethynyl)benzene 2-(Phenylethynyl)-1,3-cyclohexadiene 2-Cyclohexylethynylbenzene 2-(1-cyclohexa-1,5-dienyl)ethynylbenzene
Wiley ID 1177136