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2-(2-Cyclohexadienyl)benzoic Acid
SpectraBase Compound ID J1mNgSlyYUs
InChI InChI=1S/C13H12O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h2,4-9H,1,3H2,(H,14,15)
InChIKey ZJQZTZAVWSQPAW-UHFFFAOYSA-N
Mol Weight 200.24 g/mol
Molecular Formula C13H12O2
Exact Mass 200.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6dOsHgRxTNE
Name 2-(2-Cyclohexadienyl)benzoic Acid
Alternate Name(s) 2-(1,5-cyclohexadien-1-yl)benzoic acid 2-(1-cyclohexa-1,5-dienyl)benzoic acid
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Formula C13H12O2
InChI InChI=1S/C13H12O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h2,4-9H,1,3H2,(H,14,15)
InChIKey ZJQZTZAVWSQPAW-UHFFFAOYSA-N
Molecular Weight 200.237 g/mol
SMILES OC(c1c(C=2C=CCCC2)cccc1)=O
SPLASH splash10-00dl-0900000000-4eb6098383b1d0edbf78
Source of Spectrum F-69-3109-3
Wiley ID 1594957