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2-Ethyl 3-Methyl (2R*,3S*,3aS*,9bR*)-1-Butyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole-2,3-dicarboxylate
SpectraBase Compound ID 6Fsmr11H4tp
InChI InChI=1S/C20H27NO5/c1-4-6-10-14-15-16(19(22)24-3)18(20(23)25-5-2)21-17(15)12-9-7-8-11-13(12)26-14/h7-9,11,14-18,21H,4-6,10H2,1-3H3/t14?,15-,16-,17-,18+/m0/s1
InChIKey ADYYPVZKVLZHAW-VFGIFXOCSA-N
Mol Weight 361.44 g/mol
Molecular Formula C20H27NO5
Exact Mass 361.188923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Il8VdtBLNeI
Name 2-Ethyl 3-Methyl (2R*,3S*,3aS*,9bR*)-1-Butyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole-2,3-dicarboxylate
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Formula C20H27NO5
InChI InChI=1S/C20H27NO5/c1-4-6-10-14-15-16(19(22)24-3)18(20(23)25-5-2)21-17(15)12-9-7-8-11-13(12)26-14/h7-9,11,14-18,21H,4-6,10H2,1-3H3/t14?,15-,16-,17-,18+/m0/s1
InChIKey ADYYPVZKVLZHAW-VFGIFXOCSA-N
Molecular Weight 361.438 g/mol
SMILES N1[C@@]2([C@]([C@@]([C@@]1(C(=O)OCC)[H])(C(=O)OC)[H])(C(Oc1ccccc21)CCCC)[H])[H]
SPLASH splash10-00lr-6925000000-19bdda4fa4a4b7d5e4e0
Source of Spectrum K1-2004-715-6
Synonyms 2-Ethyl 3-methyl (2R,3S,3aS,9bR)-4-butyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole-2,3-dicarboxylate
Wiley ID 1560298