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Ethyl 4-[(E)-2-ethoxycarbonylvinyl]-2-methoxycarbonyl-2,3,4,5,6,7-hexahydro-1H-isoindole-5-carboxylate
SpectraBase Compound ID IbFolfObHAP
InChI InChI=1S/C18H25NO6/c1-4-24-16(20)9-8-13-14(17(21)25-5-2)7-6-12-10-19(11-15(12)13)18(22)23-3/h8-9,13-14H,4-7,10-11H2,1-3H3/b9-8+
InChIKey CWIRHDCDYWTTNR-CMDGGOBGSA-N
Mol Weight 351.4 g/mol
Molecular Formula C18H25NO6
Exact Mass 351.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJhbM62rL1e
Name Ethyl 4-[(E)-2-ethoxycarbonylvinyl]-2-methoxycarbonyl-2,3,4,5,6,7-hexahydro-1H-isoindole-5-carboxylate
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Formula C18H25NO6
InChI InChI=1S/C18H25NO6/c1-4-24-16(20)9-8-13-14(17(21)25-5-2)7-6-12-10-19(11-15(12)13)18(22)23-3/h8-9,13-14H,4-7,10-11H2,1-3H3/b9-8+
InChIKey CWIRHDCDYWTTNR-CMDGGOBGSA-N
Molecular Weight 351.399 g/mol
SMILES C1=2C(\C=C\C(=O)OCC)C(C(=O)OCC)CCC2CN(C1)C(=O)OC
SPLASH splash10-0560-0092000000-b6bdedbe3eb903ef8292
Source of Spectrum KB-1992-1405-7
Synonyms 5-Ethyl 2-methyl 4-[(1E)-3-ethoxy-3-oxo-1-propenyl]-1,3,4,5,6,7-hexahydro-2H-isoindole-2,5-dicarboxylate
Wiley ID 775720