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3-Benzylidene-1-methylcyclohexanecarboxylic acid

View entire compound with spectra: 1 MS (GC)

3-Benzylidene-1-methylcyclohexanecarboxylic acid
SpectraBase Compound ID 5IIiWFh44mq
InChI InChI=1S/C15H18O2/c1-15(14(16)17)9-5-8-13(11-15)10-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,16,17)/b13-10+
InChIKey UJCZIQVMXDTKRM-JLHYYAGUSA-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 3C01nTXDNe1
Name 3-Benzylidene-1-methylcyclohexanecarboxylic acid
Alternate Name(s) (3E)-3-benzylidene-1-methylcyclohexanecarboxylic acid
CAS Registry Number 99885-21-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O2
InChI InChI=1S/C15H18O2/c1-15(14(16)17)9-5-8-13(11-15)10-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,16,17)/b13-10+
InChIKey UJCZIQVMXDTKRM-JLHYYAGUSA-N
Molecular Weight 230.307 g/mol
SMILES OC(C1(C\C(=C\c2ccccc2)CCC1)C)=O
SPLASH splash10-001c-7960000000-af70c81039c4e94cfe20
Source of Spectrum J-51-739-5
Wiley ID 1232201