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anti-Dimethyl [(E)-1-Ethyl-2,6,6-trimethyl-3-oxo-4-heptenyl]malonate
SpectraBase Compound ID DHpertpvNdq
InChI InChI=1S/C17H28O5/c1-8-12(14(15(19)21-6)16(20)22-7)11(2)13(18)9-10-17(3,4)5/h9-12,14H,8H2,1-7H3/b10-9+
InChIKey YJMWQBMSKSEWGH-MDZDMXLPSA-N
Mol Weight 312.41 g/mol
Molecular Formula C17H28O5
Exact Mass 312.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GLiH6fr9PnS
Name anti-Dimethyl [(E)-1-Ethyl-2,6,6-trimethyl-3-oxo-4-heptenyl]malonate
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Formula C17H28O5
InChI InChI=1S/C17H28O5/c1-8-12(14(15(19)21-6)16(20)22-7)11(2)13(18)9-10-17(3,4)5/h9-12,14H,8H2,1-7H3/b10-9+
InChIKey YJMWQBMSKSEWGH-MDZDMXLPSA-N
Molecular Weight 312.406 g/mol
SMILES C(C(C(C(\C=C\C(C)(C)C)=O)C)CC)(C(=O)OC)C(=O)OC
SPLASH splash10-01ox-0900000000-cc67293f92796ef69e43
Source of Spectrum AJ-64-3001-13
Synonyms syn-Dimethyl [(E)-1-Ethyl-2,6,6-trimethyl-3-oxo-4-heptenyl]malonate Anti-dimethyl[(E)-1-ethyl-2,6,6-trimethyl-3-oxo-4-heptenyl]malonate Dimethyl 2-[(4E)-1-ethyl-2,6,6-trimethyl-3-oxo-4-heptenyl]malonate syn-dimethyl[(E)-1-ethyl-2,6,6-trimethyl-3-oxo-4-heptenyl]malonate
Wiley ID 1313273