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ETHYL-(2R*,3AR*,9BR*)-1-METHYL-5-(4-TOLUENESULFONYL)-2,3,3A,4,5,9B-HEXAHYDRO-1H-PYRROLO-[3,2-C]-QUINOLINE-2-CARBOXYALTE
SpectraBase Compound ID 3RfOpshegHv
InChI InChI=1S/C22H26N2O4S/c1-4-28-22(25)20-13-16-14-24(29(26,27)17-11-9-15(2)10-12-17)19-8-6-5-7-18(19)21(16)23(20)3/h5-12,16,20-21H,4,13-14H2,1-3H3/t16-,20-,21-/m1/s1
InChIKey WJNDLCANXBPCFA-MAODMQOUSA-N
Mol Weight 414.52 g/mol
Molecular Formula C22H26N2O4S
Exact Mass 414.161328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Ii9wLxlXw3
Name ETHYL-(2R*,3AR*,9BR*)-1-METHYL-5-(4-TOLUENESULFONYL)-2,3,3A,4,5,9B-HEXAHYDRO-1H-PYRROLO-[3,2-C]-QUINOLINE-2-CARBOXYALTE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26N2O4S
InChI InChI=1S/C22H26N2O4S/c1-4-28-22(25)20-13-16-14-24(29(26,27)17-11-9-15(2)10-12-17)19-8-6-5-7-18(19)21(16)23(20)3/h5-12,16,20-21H,4,13-14H2,1-3H3/t16-,20-,21-/m1/s1
InChIKey WJNDLCANXBPCFA-MAODMQOUSA-N
Literature Reference Author M.NEUSCHL,D.BOGDAL,M.POTACEK
Literature Reference Citation MOLECULES,12,49(2007)
Literature Reference DOI 10.3390/12010049
Molecular Weight 414.519 g/mol
Sample ID 46253
Solvent CDCl3