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(E)-Dimethyl 3-(3,3-di(methoxycarbonyl)hexylidene)-4-methylenecyclopentane-1,1-dicarboxylate
SpectraBase Compound ID FLDtiJeGTx3
InChI InChI=1S/C20H28O8/c1-7-9-19(15(21)25-3,16(22)26-4)10-8-14-12-20(11-13(14)2,17(23)27-5)18(24)28-6/h8H,2,7,9-12H2,1,3-6H3/b14-8+
InChIKey PVLXDJWEPXEFEX-RIYZIHGNSA-N
Mol Weight 396.44 g/mol
Molecular Formula C20H28O8
Exact Mass 396.178418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7dGWSjCjpSU
Name (E)-Dimethyl 3-(3,3-di(methoxycarbonyl)hexylidene)-4-methylenecyclopentane-1,1-dicarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 396.178417854 u
Formula C20H28O8
InChI InChI=1S/C20H28O8/c1-7-9-19(15(21)25-3,16(22)26-4)10-8-14-12-20(11-13(14)2,17(23)27-5)18(24)28-6/h8H,2,7,9-12H2,1,3-6H3/b14-8+
InChIKey PVLXDJWEPXEFEX-RIYZIHGNSA-N
Molecular Weight 396.436 g/mol
SMILES C1(C\C(=C/CC(C(=O)OC)(C(=O)OC)CCC)C(C1)=C)(C(=O)OC)C(=O)OC