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3-PHENYL-4-METHYLPENTANOIC_ACID

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-PHENYL-4-METHYLPENTANOIC_ACID
SpectraBase Compound ID KmEnMGkeO4e
InChI InChI=1S/C12H16O2/c1-9(2)11(8-12(13)14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,13,14)
InChIKey QTSNMZCWXXMRTK-UHFFFAOYSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KYHX1m3RSe
Name 4-Methyl-3-phenyl-pentanoic acid
Alternate Name(s) 4-Methyl-3-phenyl-valeric acid
CAS Registry Number 51690-50-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-9(2)11(8-12(13)14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,13,14)
InChIKey QTSNMZCWXXMRTK-UHFFFAOYSA-N
Molecular Weight 192.258 g/mol
SMILES OC(CC(c1ccccc1)C(C)C)=O
SPLASH splash10-0a5c-4900000000-2ff57ead4d7a7580afa5
Source of Spectrum J-51-1406-16
Wiley ID 1188725