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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-CARBONITRILE
SpectraBase Compound ID 4D4XmKIy4gP
InChI InChI=1S/C27H29N3O4/c28-17-21-16-20(26-32-14-15-33-26)10-12-30(27(31)34-18-19-6-2-1-3-7-19)13-11-23-22-8-4-5-9-24(22)29-25(21)23/h1-9,20-21,26,29H,10-16,18H2/t20-,21+/m1/s1
InChIKey AHMLUXOZOGIEPE-RTWAWAEBSA-N
Mol Weight 459.55 g/mol
Molecular Formula C27H29N3O4
Exact Mass 459.215806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IQ9249JwRMh
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-CARBONITRILE
Compound Number 15A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H29N3O4
InChI InChI=1S/C27H29N3O4/c28-17-21-16-20(26-32-14-15-33-26)10-12-30(27(31)34-18-19-6-2-1-3-7-19)13-11-23-22-8-4-5-9-24(22)29-25(21)23/h1-9,20-21,26,29H,10-16,18H2/t20-,21+/m1/s1
InChIKey AHMLUXOZOGIEPE-RTWAWAEBSA-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 459.545 g/mol
Sample ID 27337
Solvent CDCl3