For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
[(3aR,4S)-4-cyano-3a-(methoxymethyl)-1,2,3,5-tetrahydropyrrolo[1,2-a]quinolin-4-yl]methyl 4-methylbenzenesulfonate
SpectraBase Compound ID BkKekUKo8UK
InChI InChI=1S/C23H26N2O4S/c1-18-8-10-20(11-9-18)30(26,27)29-16-22(15-24)14-19-6-3-4-7-21(19)25-13-5-12-23(22,25)17-28-2/h3-4,6-11H,5,12-14,16-17H2,1-2H3/t22-,23-/m0/s1
InChIKey ZXUUXOUWIBTOFD-GOTSBHOMSA-N
Mol Weight 426.53 g/mol
Molecular Formula C23H26N2O4S
Exact Mass 426.161328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HlSp6tz4ADD
Name [(3aR,4S)-4-cyano-3a-(methoxymethyl)-1,2,3,5-tetrahydropyrrolo[1,2-a]quinolin-4-yl]methyl 4-methylbenzenesulfonate
Compound Number 3B
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H26N2O4S
InChI InChI=1S/C23H26N2O4S/c1-18-8-10-20(11-9-18)30(26,27)29-16-22(15-24)14-19-6-3-4-7-21(19)25-13-5-12-23(22,25)17-28-2/h3-4,6-11H,5,12-14,16-17H2,1-2H3/t22-,23-/m0/s1
InChIKey ZXUUXOUWIBTOFD-GOTSBHOMSA-N
Literature Reference Author W.VERBOOM,Y.MORZHERIN,E.KELDERMAN,J.F.J.ENGBERSEN,G.J.VANHUM MEL,S.HARKEMA,D.N.RE
Literature Reference Citation REC.TR.CH.P.-B.,112,549(1993)
Literature Reference DOI 10.1002/recl.19931121006
Molecular Weight 426.530 g/mol
Solvent CDCl3
Source File Reference UWTS2556