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3-(4-Methyl-1,4-hexadienyl)butanoic acid
SpectraBase Compound ID qjd2h7xbhN
InChI InChI=1S/C11H16O2/c1-8-3-5-10(6-4-8)9(2)7-11(12)13/h3,6,9H,4-5,7H2,1-2H3,(H,12,13)
InChIKey HYIGJYZIWBWEKH-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 CsY5NELA22h
Name 3-(4-Methyl-1,4-hexadienyl)butanoic acid
Alternate Name(s) 3-(4-Methyl-1-cyclohexa-1,4-dienyl)butanoic acid 3-(4-Methylcyclohexa-1,4-dien-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/h3,6,9H,4-5,7H2,1-2H3,(H,12,13)
InChIKey HYIGJYZIWBWEKH-UHFFFAOYSA-N
Molecular Weight 180.247 g/mol
SMILES OC(CC(C1=CCC(=CC1)C)C)=O
SPLASH splash10-006x-6900000000-8d23519493ad5f7ddee5
Source of Spectrum C-115-1256-32
Wiley ID 1176641