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ETHYL-(2R*,3AR*,9BR*)-1-BENZYL-5-(4-TOLUENESULFONYL)-2,3,3A,4,5,9B-HEXAHYDRO-1H-PYRROLO-[3,2-C]-QUINOLINE-2-CARBOXYALTE
SpectraBase Compound ID 7AQtIP52LPq
InChI InChI=1S/C28H30N2O4S/c1-3-34-28(31)26-17-22-19-30(35(32,33)23-15-13-20(2)14-16-23)25-12-8-7-11-24(25)27(22)29(26)18-21-9-5-4-6-10-21/h4-16,22,26-27H,3,17-19H2,1-2H3/t22-,26-,27-/m1/s1
InChIKey NSQAFHNAMUOUPC-GDKKVTFASA-N
Mol Weight 490.62 g/mol
Molecular Formula C28H30N2O4S
Exact Mass 490.192629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GRnXmSyVmSn
Name ETHYL-(2R*,3AR*,9BR*)-1-BENZYL-5-(4-TOLUENESULFONYL)-2,3,3A,4,5,9B-HEXAHYDRO-1H-PYRROLO-[3,2-C]-QUINOLINE-2-CARBOXYALTE
Compound Number 6C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H30N2O4S
InChI InChI=1S/C28H30N2O4S/c1-3-34-28(31)26-17-22-19-30(35(32,33)23-15-13-20(2)14-16-23)25-12-8-7-11-24(25)27(22)29(26)18-21-9-5-4-6-10-21/h4-16,22,26-27H,3,17-19H2,1-2H3/t22-,26-,27-/m1/s1
InChIKey NSQAFHNAMUOUPC-GDKKVTFASA-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 490.617 g/mol
Sample ID 46254
Solvent CDCl3