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

*Links on SpectraBase are not permalinks.
Methyl 2-hex-1-yn-1-ylbenzoate
SpectraBase Compound ID IDnXWFhPK1T
InChI InChI=1S/C14H16O2/c1-3-4-5-6-9-12-10-7-8-11-13(12)14(15)16-2/h7-8,10-11H,3-5H2,1-2H3
InChIKey TUCQESPRPRKMKB-UHFFFAOYSA-N
Mol Weight 216.28 g/mol
Molecular Formula C14H16O2
Exact Mass 216.11503 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 9lDj2KYU8hN
Name Methyl 2-hex-1-yn-1-ylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O2
InChI InChI=1S/C14H16O2/c1-3-4-5-6-9-12-10-7-8-11-13(12)14(15)16-2/h7-8,10-11H,3-5H2,1-2H3
InChIKey TUCQESPRPRKMKB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201000044
Molecular Weight 216.280 g/mol
SMILES c1cc(c(C#CCCCC)cc1)C(OC)=O
SPLASH splash10-00di-0910000000-94da744f9f564bd02169
Source of Spectrum ASC-354-133/SM39-38b
Synonyms Methyl 2-(hex-1-yn-1-yl)benzoate Methyl 2-hex-1-ynylbenzoate
Wiley ID 1762605