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2,5-Cyclohexadiene-1-carboxylic acid, 1-(2-phenylethyl)-
SpectraBase Compound ID LNR66kqkS9K
InChI InChI=1S/C15H16O2/c16-14(17)15(10-5-2-6-11-15)12-9-13-7-3-1-4-8-13/h1,3-8,10-11H,2,9,12H2,(H,16,17)
InChIKey YLGYDZPKLLXJEU-UHFFFAOYSA-N
Mol Weight 228.29 g/mol
Molecular Formula C15H16O2
Exact Mass 228.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8SO8chYRMpS
Name 2,5-Cyclohexadiene-1-carboxylic acid, 1-(2-phenylethyl)-
CAS Registry Number 72023-95-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16O2
InChI InChI=1S/C15H16O2/c16-14(17)15(10-5-2-6-11-15)12-9-13-7-3-1-4-8-13/h1,3-8,10-11H,2,9,12H2,(H,16,17)
InChIKey YLGYDZPKLLXJEU-UHFFFAOYSA-N
Molecular Weight 228.291 g/mol
SMILES OC(C1(C=CCC=C1)CCc1ccccc1)=O
SPLASH splash10-0a6r-8900000000-fb7f4cd73e0c6e436d85
Source of Spectrum C-101-7155-4
Synonyms 1-(2-phenylethyl)-2,5-cyclohexadiene-1-carboxylic acid 3-(2'-Phenylethyl)-1,4-dihydro-benzoic acid
Wiley ID 1230114