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(2E)-1-O-Acetyl-3,7-dimethyl-6,7-dihydroxy-2-octen-1-ol
SpectraBase Compound ID Bqn4pQBK7fS
InChI InChI=1S/C12H22O4/c1-9(7-8-16-10(2)13)5-6-11(14)12(3,4)15/h7,11,14-15H,5-6,8H2,1-4H3/b9-7+
InChIKey XNWRUPFPKNGYTG-VQHVLOKHSA-N
Mol Weight 230.3 g/mol
Molecular Formula C12H22O4
Exact Mass 230.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Uyi1iP3lUB
Name (2E)-1-O-Acetyl-3,7-dimethyl-6,7-dihydroxy-2-octen-1-ol
Comments Removed - expert review: contamination (acetone))
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Formula C12H22O4
InChI InChI=1S/C12H22O4/c1-9(7-8-16-10(2)13)5-6-11(14)12(3,4)15/h7,11,14-15H,5-6,8H2,1-4H3/b9-7+
InChIKey XNWRUPFPKNGYTG-VQHVLOKHSA-N
Molecular Weight 230.304 g/mol
SMILES OC(C(O)(C)C)CC\C(=C\COC(=O)C)C
SPLASH splash10-0a4i-9000000000-f1cdf95999dbfaba62ef
Source of Spectrum E1-39-1304-4
Synonyms 6,7-Dihydroxy-3,7-dimethyl-2-octenyl acetate (2E)-6,7-dihydroxy-3,7-dimethyl-2-octenyl acetate [(E)-6,7-Dihydroxy-3,7-dimethyl-2-octenyl]ester of acetic acid acetic acid[(E)-6,7-dihydroxy-3,7-dimethyl-oct-2-enyl]ester [(E)-3,7-dimethyl-6,7-bis(oxidanyl)oct-2-enyl]ethanoate [(E)-6,7-dihydroxy-3,7-dimethyl-oct-2-enyl]acetate acetic acid [(E)-6,7-dihydroxy-3,7-dimethyloct-2-enyl] ester [(E)-6,7-dihydroxy-3,7-dimethyloct-2-enyl] acetate [(E)-6,7-dihydroxy-3,7-dimethyl-oct-2-enyl] acetate [(E)-3,7-dimethyl-6,7-bis(oxidanyl)oct-2-enyl] ethanoate
Wiley ID 1518872