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ETHYL-(2R*,3AR*,9BR*)-1-(N-BUTYL)-5-(4-TOLUENESULFONYL)-2,3,3A,4,5,9B-HEXAHYDRO-1H-PYRROLO-[3,2-C]-QUINOLINE-2-CARBOXYALTE

View entire compound with spectra: 1 NMR

ETHYL-(2R*,3AR*,9BR*)-1-(N-BUTYL)-5-(4-TOLUENESULFONYL)-2,3,3A,4,5,9B-HEXAHYDRO-1H-PYRROLO-[3,2-C]-QUINOLINE-2-CARBOXYALTE
SpectraBase Compound ID KqzfQw1fPgT
InChI InChI=1S/C25H32N2O4S/c1-4-6-15-26-23(25(28)31-5-2)16-19-17-27(22-10-8-7-9-21(22)24(19)26)32(29,30)20-13-11-18(3)12-14-20/h7-14,19,23-24H,4-6,15-17H2,1-3H3/t19-,23-,24-/m1/s1
InChIKey OZUZIBZIFXYWPW-CTUHWIOQSA-N
Mol Weight 456.6 g/mol
Molecular Formula C25H32N2O4S
Exact Mass 456.208279 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6l45Mq97fOo
Name ETHYL-(2R*,3AR*,9BR*)-1-(N-BUTYL)-5-(4-TOLUENESULFONYL)-2,3,3A,4,5,9B-HEXAHYDRO-1H-PYRROLO-[3,2-C]-QUINOLINE-2-CARBOXYALTE
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H32N2O4S
InChI InChI=1S/C25H32N2O4S/c1-4-6-15-26-23(25(28)31-5-2)16-19-17-27(22-10-8-7-9-21(22)24(19)26)32(29,30)20-13-11-18(3)12-14-20/h7-14,19,23-24H,4-6,15-17H2,1-3H3/t19-,23-,24-/m1/s1
InChIKey OZUZIBZIFXYWPW-CTUHWIOQSA-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 456.600 g/mol
Sample ID 46252
Solvent CDCl3