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5-(Methoxycarbonyloxy)-2,2,4-trimethylhept-6-en-3-one
SpectraBase Compound ID IAKdHqv8U4B
InChI InChI=1S/C12H20O4/c1-7-9(16-11(14)15-6)8(2)10(13)12(3,4)5/h7-9H,1H2,2-6H3/t8-,9+/m1/s1
InChIKey MOUNYVUSXRUOCS-BDAKNGLRSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GsyX3hleZJO
Name 5-(Methoxycarbonyloxy)-2,2,4-trimethylhept-6-en-3-one
Alternate Name(s) Carbonic acid methyl ester (1S,2R)-2,4,4-trimethyl-3-oxo-1-vinyl-pentyl ester Methyl 1-(1,3,3-trimethyl-2-oxobutyl)-2-propenyl carbonate
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Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-7-9(16-11(14)15-6)8(2)10(13)12(3,4)5/h7-9H,1H2,2-6H3/t8-,9+/m1/s1
InChIKey MOUNYVUSXRUOCS-BDAKNGLRSA-N
Molecular Weight 228.288 g/mol
SMILES C([C@@]([C@@](OC(=O)OC)(C=C)[H])(C)[H])(C(C)(C)C)=O
SPLASH splash10-0002-9200000000-bf7b04bb5e29e24690d7
Source of Spectrum SO-0-86-7
Wiley ID 875196