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3-BENZYLOXYCARBONYL-6-[2-(1,3-DITHIOLANYL)]-2,3,4,5,6,7,8,9-OCTAHYDRO-1-H-AZECINO-[5.4-B]-INDOLE-8-OL
SpectraBase Compound ID 1AOjm1EwhdZ
InChI InChI=1S/C26H30N2O3S2/c29-23-16-19(25-32-14-15-33-25)10-12-28(26(30)31-17-18-6-2-1-3-7-18)13-11-21-20-8-4-5-9-22(20)27-24(21)23/h1-9,19,23,25,27,29H,10-17H2/t19-,23-/m1/s1
InChIKey KGWIBNCVFYFPSM-AUSIDOKSSA-N
Mol Weight 482.66 g/mol
Molecular Formula C26H30N2O3S2
Exact Mass 482.169785 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GNBg690mt6T
Name 3-BENZYLOXYCARBONYL-6-[2-(1,3-DITHIOLANYL)]-2,3,4,5,6,7,8,9-OCTAHYDRO-1-H-AZECINO-[5.4-B]-INDOLE-8-OL
Compound Number 12-A-Z
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H30N2O3S2
InChI InChI=1S/C26H30N2O3S2/c29-23-16-19(25-32-14-15-33-25)10-12-28(26(30)31-17-18-6-2-1-3-7-18)13-11-21-20-8-4-5-9-22(20)27-24(21)23/h1-9,19,23,25,27,29H,10-17H2/t19-,23-/m1/s1
InChIKey KGWIBNCVFYFPSM-AUSIDOKSSA-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 482.656 g/mol
Sample ID 27331
Solvent CDCl3