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8-ACETYLAMINO-2-BENZYL-7,8A-DIMETHYL-1,2,3,4,4A,5,8,8A-OCATHADROISOQUINOLINE-5-CARBOXYLIC-ACID-ETHYLESTER;MINOR-ADDUCT
SpectraBase Compound ID HGLZpIQPRA1
InChI InChI=1S/C23H32N2O3/c1-5-28-22(27)19-13-16(2)21(24-17(3)26)23(4)15-25(12-11-20(19)23)14-18-9-7-6-8-10-18/h6-10,13,19-21H,5,11-12,14-15H2,1-4H3,(H,24,26)/t19-,20-,21+,23-/m0/s1
InChIKey MSUHOOITAWOSIN-QXUYBEEESA-N
Mol Weight 384.5 g/mol
Molecular Formula C23H32N2O3
Exact Mass 384.241293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IaekeSOBMNW
Name 8-ACETYLAMINO-2-BENZYL-7,8A-DIMETHYL-1,2,3,4,4A,5,8,8A-OCATHADROISOQUINOLINE-5-CARBOXYLIC-ACID-ETHYLESTER;MINOR-ADDUCT
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H32N2O3
InChI InChI=1S/C23H32N2O3/c1-5-28-22(27)19-13-16(2)21(24-17(3)26)23(4)15-25(12-11-20(19)23)14-18-9-7-6-8-10-18/h6-10,13,19-21H,5,11-12,14-15H2,1-4H3,(H,24,26)/t19-,20-,21+,23-/m0/s1
InChIKey MSUHOOITAWOSIN-QXUYBEEESA-N
Literature Reference Author K.JAKUBOWICZ,K.B.ABDELJELIL,M.HERDEMANN,M.T.MARTIN,A.GATEAU- OLESKER,A.A.MOURABIT
Literature Reference Citation J.ORG.CHEM.,64,7381(1999)
Literature Reference DOI 10.1021/jo990604p
Molecular Weight 384.519 g/mol
Sample ID 59373
Solvent CD3OD