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3-BENZYLOXYCARBONYL-6-[2-(1,3-DIOXOLANYL)]-2,3,4,5,6,7,8,9-OCTAHYDRO-1-H-AZECINO-[5.4-B]-INDOLE-8-CARBOXAMIDE
SpectraBase Compound ID J9OaeSiOLOp
InChI InChI=1S/C27H31N3O5/c28-25(31)22-16-19(26-33-14-15-34-26)10-12-30(27(32)35-17-18-6-2-1-3-7-18)13-11-21-20-8-4-5-9-23(20)29-24(21)22/h1-9,19,22,26,29H,10-17H2,(H2,28,31)/t19-,22+/m0/s1
InChIKey FREXIPSDNUVKQK-SIKLNZKXSA-N
Mol Weight 477.56 g/mol
Molecular Formula C27H31N3O5
Exact Mass 477.226371 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Rc3HQQHxoI
Name 3-BENZYLOXYCARBONYL-6-[2-(1,3-DIOXOLANYL)]-2,3,4,5,6,7,8,9-OCTAHYDRO-1-H-AZECINO-[5.4-B]-INDOLE-8-CARBOXAMIDE
Compound Number 17-B-E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H31N3O5
InChI InChI=1S/C27H31N3O5/c28-25(31)22-16-19(26-33-14-15-34-26)10-12-30(27(32)35-17-18-6-2-1-3-7-18)13-11-21-20-8-4-5-9-23(20)29-24(21)22/h1-9,19,22,26,29H,10-17H2,(H2,28,31)/t19-,22+/m0/s1
InChIKey FREXIPSDNUVKQK-SIKLNZKXSA-N
Literature Reference Author J.BONJOCH,J.C.FERNANDEZ,N.VALLS
Literature Reference Citation J.ORG.CHEM.,63,7338(1998)
Literature Reference DOI 10.1021/jo980909o
Molecular Weight 477.560 g/mol
Sample ID 27344
Solvent CDCl3