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1,2-Dicarboxy-9-oxocyclononanepropionic acid, 1,2-dimethyl ethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1,2-Dicarboxy-9-oxocyclononanepropionic acid, 1,2-dimethyl ethyl ester
SpectraBase Compound ID 6Qo29Oejbzo
InChI InChI=1S/C18H28O7/c1-4-25-15(20)11-12-18(17(22)24-3)13(16(21)23-2)9-7-5-6-8-10-14(18)19/h13H,4-12H2,1-3H3
InChIKey DZQAYWYHFZGWMY-UHFFFAOYSA-N
Mol Weight 356.41 g/mol
Molecular Formula C18H28O7
Exact Mass 356.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8w2XB95IRuL
Name 1,2-Cyclononanedicarboxylic acid, 1-(3-ethoxy-3-oxopropyl)-9-oxo-, dimethyl ester
Alternate Name(s) 1-(3-Ethoxy-3-oxopropyl)-9-oxocyclononane-1,2-dicarboxylic acid dimethyl ester Dimethyl 1-(3-ethoxy-3-oxopropyl)-9-oxocyclononane-1,2-dicarboxylate Dimethyl 1-(3-ethoxy-3-oxo-propyl)-9-oxo-cyclononane-1,2-dicarboxylate Dimethyl 1-(3-ethoxy-3-oxidanylidene-propyl)-9-oxidanylidene-cyclononane-1,2-dicarboxylate
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Formula C18H28O7
InChI InChI=1S/C18H28O7/c1-4-25-15(20)11-12-18(17(22)24-3)13(16(21)23-2)9-7-5-6-8-10-14(18)19/h13H,4-12H2,1-3H3
InChIKey DZQAYWYHFZGWMY-UHFFFAOYSA-N
Molecular Weight 356.415 g/mol
SMILES C1(C(C(=O)OC)CCCCCCC1=O)(C(=O)OC)CCC(=O)OCC
SPLASH splash10-0a4i-9410000000-8e59904003b9b30229d7
Source of Spectrum IY-1-4281-2
Wiley ID 1650804