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Benzyl 2-(phenylethynyl)benzoate
SpectraBase Compound ID JNb7buRM8bL
InChI InChI=1S/C22H16O2/c23-22(24-17-19-11-5-2-6-12-19)21-14-8-7-13-20(21)16-15-18-9-3-1-4-10-18/h1-14H,17H2
InChIKey IXGDEUIPOYLVDA-UHFFFAOYSA-N
Mol Weight 312.37 g/mol
Molecular Formula C22H16O2
Exact Mass 312.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CRXeiNyiWIC
Name Benzyl 2-(phenylethynyl)benzoate
Comments Less than 3 mono-isotopic peaks
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Formula C22H16O2
InChI InChI=1S/C22H16O2/c23-22(24-17-19-11-5-2-6-12-19)21-14-8-7-13-20(21)16-15-18-9-3-1-4-10-18/h1-14H,17H2
InChIKey IXGDEUIPOYLVDA-UHFFFAOYSA-N
Molecular Weight 312.368 g/mol
SMILES C(#Cc1ccccc1)c1c(C(OCc2ccccc2)=O)cccc1
SPLASH splash10-0006-9001000000-4037c889ac4c3e24c427
Source of Spectrum F-65-1779-1a
Synonyms 2-(2-phenylethynyl)benzoic acid (phenylmethyl) ester Benzyl 2-(2-phenylethynyl)benzoate (phenylmethyl) 2-(2-phenylethynyl)benzoate
Wiley ID 1681602