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3-Methyl-4-phenyl-pentanoic acid

View entire compound with spectra: 1 MS (GC)

3-Methyl-4-phenyl-pentanoic acid
SpectraBase Compound ID 4DWEvZybchm
InChI InChI=1S/C12H16O2/c1-9(8-12(13)14)10(2)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,13,14)/t9-,10+/m1/s1
InChIKey XKYBANVIJAAGIL-ZJUUUORDSA-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 4ituJhrkv8F
Name 3-Methyl-4-phenyl-pentanoic acid
Alternate Name(s) 3-Methyl-4-phenyl-valeric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-9(8-12(13)14)10(2)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,13,14)/t9-,10+/m1/s1
InChIKey XKYBANVIJAAGIL-ZJUUUORDSA-N
Molecular Weight 192.258 g/mol
SMILES OC(C[C@]([C@@](c1ccccc1)(C)[H])(C)[H])=O
SPLASH splash10-0a4i-1900000000-3b6b426b1379ea94593f
Source of Spectrum QE-6-2758-21
Wiley ID 844834