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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)

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SpectraBase Spectrum ID 5G3uQYGdTLd
Name 1-(p-Methoxycarbonylphenyl)-2-phenylacetylene
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 10.1021/ol401185t
Molecular Weight 236.270 g/mol
SMILES c1cccc(c1)C#Cc1ccc(cc1)C(=O)OC
SPLASH splash10-0a4r-0390000000-66701f69b1a39146cd9c
Source of Spectrum A1-15-2858/SM3-arb3
Synonyms Methyl 4-(2-phenylethynyl)benzoate Methyl 4-(phenylethynyl)benzoate
Wiley ID 1748724