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(E)-4-[(8-(Phenylethynyl)naphthalene-2-yl)ethenyl]benzoic acid
SpectraBase Compound ID 6vaSkObuHvC
InChI InChI=1S/C27H18O2/c28-27(29)25-17-12-21(13-18-25)9-10-22-14-16-24-8-4-7-23(26(24)19-22)15-11-20-5-2-1-3-6-20/h1-10,12-14,16-19H,(H,28,29)/b10-9+
InChIKey RRMLAFJMPYRMIN-MDZDMXLPSA-N
Mol Weight 374.44 g/mol
Molecular Formula C27H18O2
Exact Mass 374.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HLACxkkXfqW
Name (E)-4-[(8-(Phenylethynyl)naphthalene-2-yl)ethenyl]benzoic acid
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Formula C27H18O2
InChI InChI=1S/C27H18O2/c28-27(29)25-17-12-21(13-18-25)9-10-22-14-16-24-8-4-7-23(26(24)19-22)15-11-20-5-2-1-3-6-20/h1-10,12-14,16-19H,(H,28,29)/b10-9+
InChIKey RRMLAFJMPYRMIN-MDZDMXLPSA-N
Molecular Weight 374.439 g/mol
SMILES OC(c1ccc(cc1)\C=C\c1ccc2c(c(ccc2)C#Cc2ccccc2)c1)=O
SPLASH splash10-004i-0019000000-3504c8980a3cacd23ab4
Source of Spectrum CMC-10-1387-11c
Synonyms (E)-4-(2-(8-(phenylethynyl)naphthalen-2-yl)vinyl)benzoic acid
Wiley ID 1785171