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CIS-1-(4-ACETOXY-2-BUTYNYL)-3A-(2-NITROPHENYL)-1,2,3,3A,7,7A-HEXAHYDROINDOL-4-ONE
SpectraBase Compound ID 8eHr8qZymQw
InChI InChI=1S/C20H20N2O5/c1-15(23)27-14-5-4-12-21-13-11-20(18(21)9-6-10-19(20)24)16-7-2-3-8-17(16)22(25)26/h2-3,6-8,10,18H,9,11-14H2,1H3/t18-,20+/m0/s1
InChIKey QVWIGDPUHFDBLW-AZUAARDMSA-N
Mol Weight 368.39 g/mol
Molecular Formula C20H20N2O5
Exact Mass 368.137222 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HnJ0ONTqAJ6
Name CIS-1-(4-ACETOXY-2-BUTYNYL)-3A-(2-NITROPHENYL)-1,2,3,3A,7,7A-HEXAHYDROINDOL-4-ONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H20N2O5
InChI InChI=1S/C20H20N2O5/c1-15(23)27-14-5-4-12-21-13-11-20(18(21)9-6-10-19(20)24)16-7-2-3-8-17(16)22(25)26/h2-3,6-8,10,18H,9,11-14H2,1H3/t18-,20+/m0/s1
InChIKey QVWIGDPUHFDBLW-AZUAARDMSA-N
Literature Reference Author D.SOLE,S.GARCIA-RUBIO,L.VALLVERDU,J.BONJOCH
Literature Reference Citation J.ORG.CHEM.,66,5266(2001)
Literature Reference DOI 10.1021/jo015659h
Molecular Weight 368.389 g/mol
Solvent CDCl3
Source File Reference UWLU27232