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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28fMFcxrBpO
Name (E)-Dimethyl 3-(3,3-di(methoxycarbonyl)hexylidene)-4-methylenecyclopentane-1,1-dicarboxylate
Alternate Name(s) dimethyl (3E)-3-[3,3-bis(methoxycarbonyl)hexylidene]-4-methylene-1,1-cyclopentanedicarboxylate
Comments Less than 3 mono-isotopic peaks
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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
SPLASH splash10-03dj-0905000000-97051352ded24f347333
Source of Spectrum QE-12-1805-8
Wiley ID 1586763