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(S)-N-(6,7-DIHYDRO-3,4,9,10,11-PENTAMETHOXY-5H-DIBENZO-[A,C]-CYCLOHEPTEN-5-YL)-ACETAMIDE;M-CONFORMER
SpectraBase Compound ID 9tFpVGBvkLV
InChI InChI=1S/C22H27NO6/c1-12(24)23-15-9-7-13-11-17(26-3)21(28-5)22(29-6)18(13)14-8-10-16(25-2)20(27-4)19(14)15/h8,10-11,15H,7,9H2,1-6H3,(H,23,24)/t15-/m1/s1
InChIKey RHEBOXPAYVHGSE-OAHLLOKOSA-N
Mol Weight 401.46 g/mol
Molecular Formula C22H27NO6
Exact Mass 401.183838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FgBpnUPOXW8
Name (S)-N-(6,7-DIHYDRO-3,4,9,10,11-PENTAMETHOXY-5H-DIBENZO-[A,C]-CYCLOHEPTEN-5-YL)-ACETAMIDE;M-CONFORMER
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27NO6
InChI InChI=1S/C22H27NO6/c1-12(24)23-15-9-7-13-11-17(26-3)21(28-5)22(29-6)18(13)14-8-10-16(25-2)20(27-4)19(14)15/h8,10-11,15H,7,9H2,1-6H3,(H,23,24)/t15-/m1/s1
InChIKey RHEBOXPAYVHGSE-OAHLLOKOSA-N
Literature Reference Author R.BRECHT,G.SEITZ,D.GUENARD,S.THORET
Literature Reference Citation BIOORG.MED.CHEM.,8,557(2000)
Literature Reference DOI 10.1016/S0968-0896(99)00318-1
Molecular Weight 401.459 g/mol
Solvent CDCl3
Source File Reference UWVN20139