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3-Cyclohexyl-3-phenylbutanoic acid

View entire compound with spectra: 1 MS (GC)

3-Cyclohexyl-3-phenylbutanoic acid
SpectraBase Compound ID 5KNullfKVKT
InChI InChI=1S/C16H22O2/c1-16(12-15(17)18,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3,(H,17,18)
InChIKey BQSANALOKYEDSJ-UHFFFAOYSA-N
Mol Weight 246.35 g/mol
Molecular Formula C16H22O2
Exact Mass 246.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HxxJMic8LMD
Name 3-Cyclohexyl-3-phenylbutanoic acid
Alternate Name(s) 3-cyclohexyl-3-phenyl-butyric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O2
InChI InChI=1S/C16H22O2/c1-16(12-15(17)18,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3,(H,17,18)
InChIKey BQSANALOKYEDSJ-UHFFFAOYSA-N
Molecular Weight 246.350 g/mol
SMILES OC(CC(C)(c1ccccc1)C1CCCCC1)=O
SPLASH splash10-0wml-4900000000-57165474cf2c4dafcd92
Source of Spectrum E1-37-3806-50
Wiley ID 1575419