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3,7-Dimethyl-7-chloro-6-hydroxy-2-octenyl acetate
SpectraBase Compound ID AO0YqzJptTd
InChI InChI=1S/C12H21ClO3/c1-9(7-8-16-10(2)14)5-6-11(15)12(3,4)13/h7,11,15H,5-6,8H2,1-4H3/b9-7+
InChIKey YMFVPPDDWUZPBL-VQHVLOKHSA-N
Mol Weight 248.75 g/mol
Molecular Formula C12H21ClO3
Exact Mass 248.117922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LdG1JAvVkkE
Name 3,7-Dimethyl-7-chloro-6-hydroxy-2-octenyl acetate
Alternate Name(s) (2E)-7-chloro-6-hydroxy-3,7-dimethyl-2-octenyl acetate Acetic acid [(E)-7-chloro-6-hydroxy-3,7-dimethyloct-2-enyl] ester [(E)-7-chloro-6-hydroxy-3,7-dimethyloct-2-enyl] acetate [(E)-7-chloro-6-hydroxy-3,7-dimethyl-oct-2-enyl] acetate [(E)-7-chloranyl-3,7-dimethyl-6-oxidanyl-oct-2-enyl] ethanoate
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Formula C12H21ClO3
InChI InChI=1S/C12H21ClO3/c1-9(7-8-16-10(2)14)5-6-11(15)12(3,4)13/h7,11,15H,5-6,8H2,1-4H3/b9-7+
InChIKey YMFVPPDDWUZPBL-VQHVLOKHSA-N
Molecular Weight 248.750 g/mol
SMILES OC(C(Cl)(C)C)CC\C(=C\COC(=O)C)C
SPLASH splash10-0006-9310000000-60e4655a19fa97c4a94b
Source of Spectrum F-50-13245-6
Wiley ID 790090