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6-[2-(1,3-DIOXOLANYL)]-3-(2,2,2-TRICHLOROETHYLOXYCARBONYL)-2,3,4,5,6,7,8,9-OCTAHYDRO-1-H-AZECINO-[5.4-B]-INDOL-8-OL
SpectraBase Compound ID 371GV3l7eVg
InChI InChI=1S/C21H25Cl3N2O5/c22-21(23,24)12-31-20(28)26-7-5-13(19-29-9-10-30-19)11-17(27)18-15(6-8-26)14-3-1-2-4-16(14)25-18/h1-4,13,17,19,25,27H,5-12H2/t13-,17-/m1/s1
InChIKey YGLALGGHUFQLMB-CXAGYDPISA-N
Mol Weight 491.8 g/mol
Molecular Formula C21H25Cl3N2O5
Exact Mass 490.082905 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FbwnOqqpe05
Name 6-[2-(1,3-DIOXOLANYL)]-3-(2,2,2-TRICHLOROETHYLOXYCARBONYL)-2,3,4,5,6,7,8,9-OCTAHYDRO-1-H-AZECINO-[5.4-B]-INDOL-8-OL
Compound Number 11-A-Z
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25Cl3N2O5
InChI InChI=1S/C21H25Cl3N2O5/c22-21(23,24)12-31-20(28)26-7-5-13(19-29-9-10-30-19)11-17(27)18-15(6-8-26)14-3-1-2-4-16(14)25-18/h1-4,13,17,19,25,27H,5-12H2/t13-,17-/m1/s1
InChIKey YGLALGGHUFQLMB-CXAGYDPISA-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 491.799 g/mol
Sample ID 27340
Solvent CDCl3