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(2E)-1-O-Acetyl-3,7-dimethyl-6-hydroxy-2,7-octadien-1-ol
SpectraBase Compound ID 4ZDhV9VA4K9
InChI InChI=1S/C12H20O3/c1-9(2)12(14)6-5-10(3)7-8-15-11(4)13/h7,12,14H,1,5-6,8H2,2-4H3/b10-7+
InChIKey AJCBRFGINYAOCJ-JXMROGBWSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8l8sTm6IFJO
Name (2E)-1-O-Acetyl-3,7-dimethyl-6-hydroxy-2,7-octadien-1-ol
Alternate Name(s) (2E,6S)-6-Hydroxy-7(9)-dehydro-6,7-dihydrogeranyl acetate (2E)-6-hydroxy-3,7-dimethyl-2,7-octadienyl acetate acetic acid[(2E)-6-hydroxy-3,7-dimethyl-octa-2,7-dienyl]ester [(2E)-3,7-dimethyl-6-oxidanyl-octa-2,7-dienyl]ethanoate acetic acid [(2E)-6-hydroxy-3,7-dimethylocta-2,7-dienyl] ester [(2E)-6-hydroxy-3,7-dimethyl-octa-2,7-dienyl]acetate [(2E)-6-hydroxy-3,7-dimethylocta-2,7-dienyl] acetate [(2E)-6-hydroxy-3,7-dimethyl-octa-2,7-dienyl] acetate [(2E)-3,7-dimethyl-6-oxidanyl-octa-2,7-dienyl] ethanoate
Comments Less than 3 mono-isotopic peaks
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Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-9(2)12(14)6-5-10(3)7-8-15-11(4)13/h7,12,14H,1,5-6,8H2,2-4H3/b10-7+
InChIKey AJCBRFGINYAOCJ-JXMROGBWSA-N
Molecular Weight 212.289 g/mol
SMILES OC(C(=C)C)CC\C(=C\COC(=O)C)C
SPLASH splash10-001i-9100000000-d08ddc588e5c75909736
Source of Spectrum E1-39-1304-9
Wiley ID 1518867