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

*Links on SpectraBase are not permalinks.
4-Methylbenzenesulfonic acid hex-5-ynyl ester
SpectraBase Compound ID 89MmcO0OdFp
InChI InChI=1S/C13H16O3S/c1-3-4-5-6-11-16-17(14,15)13-9-7-12(2)8-10-13/h1,7-10H,4-6,11H2,2H3
InChIKey CKJWLEMTYAEICI-UHFFFAOYSA-N
Mol Weight 252.33 g/mol
Molecular Formula C13H16O3S
Exact Mass 252.082016 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 Albg6JzERVn
Name 4-Methylbenzenesulfonic acid hex-5-ynyl ester
CAS Registry Number 76911-01-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c1-3-4-5-6-11-16-17(14,15)13-9-7-12(2)8-10-13/h1,7-10H,4-6,11H2,2H3
InChIKey CKJWLEMTYAEICI-UHFFFAOYSA-N
Molecular Weight 252.328 g/mol
SMILES c1(S(=O)(=O)OCCCCC#C)ccc(cc1)C
SPLASH splash10-05o0-9300000000-a6b5ec57d13f5d527e06
Source of Spectrum K-2002-1502-10
Synonyms Hex-5-ynyl 4-methylbenzenesulfonate
Wiley ID 1581338