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Dimethyl (Z,1RS,6SR)-(9-benzyl-2-(ethoxycarbonyl)methylene-9-azabicyclo[4.2.1]non-7-ene)-7,8-dicarboxylate
SpectraBase Compound ID JUldu0Li8ok
InChI InChI=1S/C23H27NO6/c1-4-30-18(25)13-16-11-8-12-17-19(22(26)28-2)20(23(27)29-3)21(16)24(17)14-15-9-6-5-7-10-15/h5-7,9-10,13,17,21H,4,8,11-12,14H2,1-3H3/b16-13-/t17-,21+/m0/s1
InChIKey GBFBMVHPSXAVEB-VCRGWNTBSA-N
Mol Weight 413.47 g/mol
Molecular Formula C23H27NO6
Exact Mass 413.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMO4TEHVzKo
Name Dimethyl (Z,1RS,6SR)-(9-benzyl-2-(ethoxycarbonyl)methylene-9-azabicyclo[4.2.1]non-7-ene)-7,8-dicarboxylate
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Formula C23H27NO6
InChI InChI=1S/C23H27NO6/c1-4-30-18(25)13-16-11-8-12-17-19(22(26)28-2)20(23(27)29-3)21(16)24(17)14-15-9-6-5-7-10-15/h5-7,9-10,13,17,21H,4,8,11-12,14H2,1-3H3/b16-13-/t17-,21+/m0/s1
InChIKey GBFBMVHPSXAVEB-VCRGWNTBSA-N
Molecular Weight 413.470 g/mol
SMILES C1(=C([C@@]2(CCC\C([C@]1(N2Cc1ccccc1)[H])=C\C(=O)OCC)[H])C(=O)OC)C(=O)OC
SPLASH splash10-001l-5039000000-572bf9c68e6eee8bd40f
Source of Spectrum F5-6-3193-Z-21
Synonyms Dimethyl (Z,1RS,6SR)-(9-benzyl-2-(ethoxycarbonyl)methylene-9-azabicyclo[4.2.1]non-7-ene)-7.8-dicarboxylate (1R,6S,Z)-dimethyl 9-benzyl-2-(2-ethoxy-2-oxoethylidene)-9-azabicyclo[4.2.1]non-7-ene-7,8-dicarboxylate
Wiley ID 1733607