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Diethyl 2-(3,3-dimethoxypropyl)-2-(6-oxocyclohex-1-enyl)malonate
SpectraBase Compound ID JWPaNWkmlOu
InChI InChI=1S/C18H28O7/c1-5-24-16(20)18(17(21)25-6-2,12-11-15(22-3)23-4)13-9-7-8-10-14(13)19/h9,15H,5-8,10-12H2,1-4H3
InChIKey MLIFWNRVAAJQNO-UHFFFAOYSA-N
Mol Weight 356.42 g/mol
Molecular Formula C18H28O7
Exact Mass 356.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2RnTCvPCNs
Name Diethyl 2-(3,3-dimethoxypropyl)-2-(6-oxocyclohex-1-enyl)malonate
Comments Less than 3 mono-isotopic peaks
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Formula C18H28O7
InChI InChI=1S/C18H28O7/c1-5-24-16(20)18(17(21)25-6-2,12-11-15(22-3)23-4)13-9-7-8-10-14(13)19/h9,15H,5-8,10-12H2,1-4H3
InChIKey MLIFWNRVAAJQNO-UHFFFAOYSA-N
Molecular Weight 356.415 g/mol
SMILES C(C(C(=O)OCC)(C1=CCCCC1=O)CCC(OC)OC)(=O)OCC
SPLASH splash10-0udi-0093000000-4753db84ea2881ef9c31
Source of Spectrum K-2002-1348-11
Synonyms diethyl 2-(3,3-dimethoxypropyl)-2-(6-oxo-1-cyclohexen-1-yl)malonate
Wiley ID 1581219