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3-Phenylbicyclo[2.2.2]octane-2-carboxylic acid
SpectraBase Compound ID 2TAg6AXFDAV
InChI InChI=1S/C15H18O2/c16-15(17)14-12-8-6-11(7-9-12)13(14)10-4-2-1-3-5-10/h1-5,11-14H,6-9H2,(H,16,17)
InChIKey ZURGHSQYVNSJNE-UHFFFAOYSA-N
Mol Weight 230.31 g/mol
Molecular Formula C15H18O2
Exact Mass 230.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jkq37vHbgSs
Name 3-Phenylbicyclo[2.2.2]octane-2-carboxylic acid
Alternate Name(s) 2-Phenyl-3-bicyclo[2.2.2]octanecarboxylic acid 2-Phenylbicyclo[2.2.2]octane-3-carboxylic acid Bicyclo[2.2.2]octane-2-carboxylic acid, 3-phenyl-
CAS Registry Number 40794-41-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O2
InChI InChI=1S/C15H18O2/c16-15(17)14-12-8-6-11(7-9-12)13(14)10-4-2-1-3-5-10/h1-5,11-14H,6-9H2,(H,16,17)
InChIKey ZURGHSQYVNSJNE-UHFFFAOYSA-N
Molecular Weight 230.307 g/mol
SMILES OC(C1C(C2CCC1CC2)c1ccccc1)=O
SPLASH splash10-001i-5900000000-546ab0fc9b63168ce6ba
Source of Spectrum AD-0-2532-0
Wiley ID 1429900