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1-{2-[(3S,4)-Dihydroxybutyl]cyclohex-1-enyl}non-2-en-1-one
SpectraBase Compound ID LCUfWtGDK6e
InChI InChI=1S/C19H32O3/c1-2-3-4-5-6-7-12-19(22)18-11-9-8-10-16(18)13-14-17(21)15-20/h7,12,17,20-21H,2-6,8-11,13-15H2,1H3/b12-7+/t17-/m0/s1
InChIKey GUZSQOLHZLLGLL-CRVDFBCUSA-N
Mol Weight 308.5 g/mol
Molecular Formula C19H32O3
Exact Mass 308.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LFEjY2fjGnf
Name 1-{2-[(3S,4)-Dihydroxybutyl]cyclohex-1-enyl}non-2-en-1-one
Alternate Name(s) (E)-1-[2-[(3S)-3,4-dihydroxybutyl]-1-cyclohexenyl]-2-nonen-1-one (E)-1-[2-[(3S)-3,4-bis(oxidanyl)butyl]cyclohexen-1-yl]non-2-en-1-one
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Formula C19H32O3
InChI InChI=1S/C19H32O3/c1-2-3-4-5-6-7-12-19(22)18-11-9-8-10-16(18)13-14-17(21)15-20/h7,12,17,20-21H,2-6,8-11,13-15H2,1H3/b12-7+/t17-/m0/s1
InChIKey GUZSQOLHZLLGLL-CRVDFBCUSA-N
Molecular Weight 308.462 g/mol
SMILES O[C@](CO)(CCC1=C(C(\C=C\CCCCCC)=O)CCCC1)[H]
SPLASH splash10-0002-4981000000-4d0c2c2a207211e37d51
Source of Spectrum J-64-5187-8
Wiley ID 1530704