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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 GZ0Iy0BsUBQ
Name Methyl 4-(phenylethynyl)benzoate
Appearance Yellow solid
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
Instrument Name Hewlett-Packard HP 6890N
Ionization Type EI
Literature Reference DOI 10.1002/cssc.202101052
Molecular Weight 236.270 g/mol
SMILES COC(c1ccc(cc1)C#Cc1ccccc1)=O
SPLASH splash10-0550-0390000000-9d8e073237ba32077dd7
Source of Spectrum CSC-14-SM16-3da
Wiley ID 1865388