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METHYL_3-BENZYLOXYCARBONYL-6-[2-(1,3-DIOXOLANYL)]-2,3,4,5,6,7,8,9-OCTAHYDRO-1-H-AZECINO-[5.4-B]-INDOLE-8-CARBOXYLATE
SpectraBase Compound ID Djyf0CLBzw8
InChI InChI=1S/C28H32N2O6/c1-33-26(31)23-17-20(27-34-15-16-35-27)11-13-30(28(32)36-18-19-7-3-2-4-8-19)14-12-22-21-9-5-6-10-24(21)29-25(22)23/h2-10,20,23,27,29H,11-18H2,1H3/t20-,23+/m0/s1
InChIKey YNFQYMFZNWYNOF-NZQKXSOJSA-N
Mol Weight 492.6 g/mol
Molecular Formula C28H32N2O6
Exact Mass 492.226037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8MER2pRnz3B
Name METHYL_3-BENZYLOXYCARBONYL-6-[2-(1,3-DIOXOLANYL)]-2,3,4,5,6,7,8,9-OCTAHYDRO-1-H-AZECINO-[5.4-B]-INDOLE-8-CARBOXYLATE
Compound Number 18-B-Z
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H32N2O6
InChI InChI=1S/C28H32N2O6/c1-33-26(31)23-17-20(27-34-15-16-35-27)11-13-30(28(32)36-18-19-7-3-2-4-8-19)14-12-22-21-9-5-6-10-24(21)29-25(22)23/h2-10,20,23,27,29H,11-18H2,1H3/t20-,23+/m0/s1
InChIKey YNFQYMFZNWYNOF-NZQKXSOJSA-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 492.572 g/mol
Sample ID 27348
Solvent CDCl3