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

*Links on SpectraBase are not permalinks.

1-Hexynyl-4,5-dimethyl-2-(phenylethynyl)benzene

View entire compound with spectra: 1 MS (GC)

1-Hexynyl-4,5-dimethyl-2-(phenylethynyl)benzene
SpectraBase Compound ID K5DT6tqPlPl
InChI InChI=1S/C22H26/c1-4-5-6-10-13-21-16-18(2)19(3)17-22(21)15-14-20-11-8-7-9-12-20/h7-9,11-12,16-17H,4-6,10,13H2,1-3H3
InChIKey SBKCNPHZJRCPSW-UHFFFAOYSA-N
Mol Weight 290.45 g/mol
Molecular Formula C22H26
Exact Mass 290.203451 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 ORG67iCoGt
Name 1-Hexynyl-4,5-dimethyl-2-(phenylethynyl)benzene
Alternate Name(s) 1-Hexyl-4,5-dimethyl-2-(phenylethynyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26
InChI InChI=1S/C22H26/c1-4-5-6-10-13-21-16-18(2)19(3)17-22(21)15-14-20-11-8-7-9-12-20/h7-9,11-12,16-17H,4-6,10,13H2,1-3H3
InChIKey SBKCNPHZJRCPSW-UHFFFAOYSA-N
Molecular Weight 290.450 g/mol
SMILES C(#Cc1ccccc1)c1cc(C)c(cc1CCCCCC)C
SPLASH splash10-00kf-0090000000-a31180db7a38dc6be007
Source of Spectrum SO-0-691-16
Wiley ID 865185