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Acetic acid, 7-chloro-3-methyl-6-oxo-hept-2-enyl ester
SpectraBase Compound ID 9xdfoUC0OsD
InChI InChI=1S/C10H15ClO3/c1-8(3-4-10(13)7-11)5-6-14-9(2)12/h5H,3-4,6-7H2,1-2H3/b8-5+
InChIKey HLSFNJSOMTWUQG-VMPITWQZSA-N
Mol Weight 218.68 g/mol
Molecular Formula C10H15ClO3
Exact Mass 218.070972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6AAaUKgaLem
Name Acetic acid, 7-chloro-3-methyl-6-oxo-hept-2-enyl ester
Alternate Name(s) (2E)-7-Chloro-3-methyl-6-oxo-2-heptenyl acetate Acetic acid [(E)-7-chloro-3-methyl-6-oxohept-2-enyl] ester [(E)-7-chloro-3-methyl-6-oxohept-2-enyl] acetate [(E)-7-chloro-3-methyl-6-oxo-hept-2-enyl] acetate [(E)-7-chloranyl-3-methyl-6-oxidanylidene-hept-2-enyl] ethanoate
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Formula C10H15ClO3
InChI InChI=1S/C10H15ClO3/c1-8(3-4-10(13)7-11)5-6-14-9(2)12/h5H,3-4,6-7H2,1-2H3/b8-5+
InChIKey HLSFNJSOMTWUQG-VMPITWQZSA-N
Molecular Weight 218.680 g/mol
SMILES C(=O)(CCl)CC\C(C)=C\COC(=O)C
SPLASH splash10-000x-9200000000-395ee30ed996751608fe
Wiley ID 1484803