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ANTI-5,5-DICARBOMETHOXY-1,4A-DIDEUTERIO-7-METHYL-2,3,4A,6,7,11C-HEXAHYDRO-1H,4H-BENZO-[C]-CARBAZOLE
SpectraBase Compound ID 2TZamdlJrCS
InChI InChI=1S/C21H25NO4/c1-22-16-11-7-5-9-14(16)18-13-8-4-6-10-15(13)21(12-17(18)22,19(23)25-2)20(24)26-3/h5,7,9,11,13,15H,4,6,8,10,12H2,1-3H3/t13-,15+/m0/s1/i8D,15D/t8-,13-,15+
InChIKey BKVITMLKDJMTLV-BPNCCHNLSA-N
Mol Weight 357.45 g/mol
Molecular Formula C21H232H2NO4
Exact Mass 357.190912 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2D3NiajOIwT
Name ANTI-5,5-DICARBOMETHOXY-1,4A-DIDEUTERIO-7-METHYL-2,3,4A,6,7,11C-HEXAHYDRO-1H,4H-BENZO-[C]-CARBAZOLE
Compound Number 5-D2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H232H2NO4
InChI InChI=1S/C21H25NO4/c1-22-16-11-7-5-9-14(16)18-13-8-4-6-10-15(13)21(12-17(18)22,19(23)25-2)20(24)26-3/h5,7,9,11,13,15H,4,6,8,10,12H2,1-3H3/t13-,15+/m0/s1/i8D,15D/t8-,13-,15+
InChIKey BKVITMLKDJMTLV-BPNCCHNLSA-N
Literature Reference Author C.LIU,X.HAN,X.WANG,R.A.WIDENHOEFER
Literature Reference Citation J.AM.CHEM.SOC.,126,3700(2004)
Literature Reference DOI 10.1021/ja031814t
Molecular Weight 357.446 g/mol
Solvent CDCl3
Source File Reference UWLU36632