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2-(2-Phenylethynyl-cyclopent-1-enyl)-propionic acid
SpectraBase Compound ID Ep7Ew9T3GAS
InChI InChI=1S/C16H16O2/c1-12(16(17)18)15-9-5-8-14(15)11-10-13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-9H2,1H3,(H,17,18)
InChIKey PAGKKQLDSPLKRR-UHFFFAOYSA-N
Mol Weight 240.3 g/mol
Molecular Formula C16H16O2
Exact Mass 240.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7rYTT2Mw81P
Name 2-(2-Phenylethynyl-cyclopent-1-enyl)-propionic acid
Alternate Name(s) 2-[(phenylethynyl)cyclopentenyl]-2-methylacetic acid 2-[2-(phenylethynyl)-1-cyclopenten-1-yl]propanoic acid 2-[2'-(Phenylethynyl)cyclopenetnyl]-1-propionate
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Formula C16H16O2
InChI InChI=1S/C16H16O2/c1-12(16(17)18)15-9-5-8-14(15)11-10-13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-9H2,1H3,(H,17,18)
InChIKey PAGKKQLDSPLKRR-UHFFFAOYSA-N
Molecular Weight 240.302 g/mol
SMILES OC(C(C1=C(C#Cc2ccccc2)CCC1)C)=O
SPLASH splash10-014i-4910000000-4a79ee43b8231583d52b
Source of Spectrum C-117-10644-32
Wiley ID 1698108