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6-[2-(1,3-DIOXOLANYL)]-3-PHENYLOXACARBONYL-2,3,4,5,6,7,8,9-OCTAHYDRO-1-H-AZECINO-[5.4-B]-INDOLE
SpectraBase Compound ID JrxAdpqN23C
InChI InChI=1S/C25H28N2O4/c28-25(31-19-6-2-1-3-7-19)27-14-12-18(24-29-16-17-30-24)10-11-23-21(13-15-27)20-8-4-5-9-22(20)26-23/h1-9,18,24,26H,10-17H2
InChIKey QHLAJZDQHLWMRT-UHFFFAOYSA-N
Mol Weight 420.51 g/mol
Molecular Formula C25H28N2O4
Exact Mass 420.204907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 35oDNUvoTys
Name 6-[2-(1,3-DIOXOLANYL)]-3-PHENYLOXACARBONYL-2,3,4,5,6,7,8,9-OCTAHYDRO-1-H-AZECINO-[5.4-B]-INDOLE
Compound Number 27-E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H28N2O4
InChI InChI=1S/C25H28N2O4/c28-25(31-19-6-2-1-3-7-19)27-14-12-18(24-29-16-17-30-24)10-11-23-21(13-15-27)20-8-4-5-9-22(20)26-23/h1-9,18,24,26H,10-17H2
InChIKey QHLAJZDQHLWMRT-UHFFFAOYSA-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 420.508 g/mol
Sample ID 27358
Solvent CDCl3