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3-(4-Methyl-1,3-cyclohexadienyl)butanoic acid
SpectraBase Compound ID 4xaFoWEAjPR
InChI InChI=1S/C11H16O2/c1-8-3-5-10(6-4-8)9(2)7-11(12)13/h3,5,9H,4,6-7H2,1-2H3,(H,12,13)
InChIKey AIAKCEJHNXDLIV-UHFFFAOYSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EXnaJgE24f8
Name 3-(4-Methyl-1,3-cyclohexadienyl)butanoic acid
Alternate Name(s) 3-(4-Methyl-1,3-cyclohexadien-1-yl)butanoic acid
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Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-8-3-5-10(6-4-8)9(2)7-11(12)13/h3,5,9H,4,6-7H2,1-2H3,(H,12,13)
InChIKey AIAKCEJHNXDLIV-UHFFFAOYSA-N
Molecular Weight 180.247 g/mol
SMILES OC(CC(C1=CC=C(CC1)C)C)=O
SPLASH splash10-05tf-4900000000-a58e6ba0b69e9924789d
Source of Spectrum C-115-1257-0
Wiley ID 1176640