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2-(Phenylethynyl)cyclopentenecarboxylic acid
SpectraBase Compound ID CPW52H3pwI3
InChI InChI=1S/C14H12O2/c15-14(16)13-8-4-7-12(13)10-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-8H2,(H,15,16)
InChIKey ZWWOPBNLSMWHBW-UHFFFAOYSA-N
Mol Weight 212.25 g/mol
Molecular Formula C14H12O2
Exact Mass 212.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ETCRX3uq5Z
Name 2-(Phenylethynyl)cyclopentenecarboxylic acid
Alternate Name(s) 2-(Phenylethynyl)-1-cyclopentene-1-carboxylic acid
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Formula C14H12O2
InChI InChI=1S/C14H12O2/c15-14(16)13-8-4-7-12(13)10-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-8H2,(H,15,16)
InChIKey ZWWOPBNLSMWHBW-UHFFFAOYSA-N
Molecular Weight 212.248 g/mol
SMILES OC(C1=C(C#Cc2ccccc2)CCC1)=O
SPLASH splash10-03di-0790000000-3c294b6916b40e88d5a9
Source of Spectrum C-117-10643-14
Wiley ID 759150