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Dimethyl [(E)-1,2,6,6-Tetramethy-3-oxo-4-heptenyl]malonate
SpectraBase Compound ID Bu7btrUHnRy
InChI InChI=1S/C16H26O5/c1-10(12(17)8-9-16(3,4)5)11(2)13(14(18)20-6)15(19)21-7/h8-11,13H,1-7H3/b9-8+
InChIKey ABLHTFAJLXSHEL-CMDGGOBGSA-N
Mol Weight 298.38 g/mol
Molecular Formula C16H26O5
Exact Mass 298.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5cxmtq80FaA
Name Dimethyl [(E)-1,2,6,6-Tetramethy-3-oxo-4-heptenyl]malonate
Alternate Name(s) Dimethyl 2-[(4E)-1,2,6,6-tetramethyl-3-oxo-4-heptenyl]malonate
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Formula C16H26O5
InChI InChI=1S/C16H26O5/c1-10(12(17)8-9-16(3,4)5)11(2)13(14(18)20-6)15(19)21-7/h8-11,13H,1-7H3/b9-8+
InChIKey ABLHTFAJLXSHEL-CMDGGOBGSA-N
Molecular Weight 298.379 g/mol
SMILES C(C(C(C(\C=C\C(C)(C)C)=O)C)C)(C(=O)OC)C(=O)OC
SPLASH splash10-03di-0900000000-0f1e96b02ec20cffcf99
Source of Spectrum AJ-64-3001-13
Wiley ID 1300888