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

*Links on SpectraBase are not permalinks.
IOMGFEKBYSHGLF-UHFFFAOYSA-N
SpectraBase Compound ID KbAmTchrPa5
InChI InChI=1S/C16H12O2/c1-18-16(17)15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-6,9-12H,1H3
InChIKey IOMGFEKBYSHGLF-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C16H12O2
Exact Mass 236.08373 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 48MOZ8UMd6
Name 1-(p-Methoxycarbonylphenyl)-2-phenylacetylene
Alternate Name(s) Methyl 4-(2-phenylethynyl)benzoate Methyl 4-(phenylethynyl)benzoate
CAS Registry Number 42497-80-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12O2
InChI InChI=1S/C16H12O2/c1-18-16(17)15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-6,9-12H,1H3
InChIKey IOMGFEKBYSHGLF-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c5ra00505a
Molecular Weight 236.270 g/mol
SMILES c1cc(ccc1C(OC)=O)C#Cc1ccccc1
SPLASH splash10-0a4r-0290000000-004e77b680aa52bb96f2
Source of Spectrum RSA-5-18968-3j
Wiley ID 1760250