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

*Links on SpectraBase are not permalinks.
4-Isoquinolinecarboxylic acid, 1,2,4a,7,8,8a-hexahydro-7-(2-methyl-1,3-dioxolan-2-yl)-2-[2-[1-(phenylsulfonyl)-1H-indol-3-yl]ethyl]-, methyl ester, (4a.alpha.,7.alpha.,8a.alpha.)-(.+-.)-
SpectraBase Compound ID 90UijxlZz4d
InChI InChI=1S/C31H34N2O6S/c1-31(38-16-17-39-31)24-12-13-26-23(18-24)19-32(21-28(26)30(34)37-2)15-14-22-20-33(29-11-7-6-10-27(22)29)40(35,36)25-8-4-3-5-9-25/h3-13,20-21,23-24,26H,14-19H2,1-2H3/t23-,24-,26-/m0/s1
InChIKey MDLCKDRLJLJDGH-GNKBHMEESA-N
Mol Weight 562.7 g/mol
Molecular Formula C31H34N2O6S
Exact Mass 562.213758 g/mol
Enantiomer InChIKey MDLCKDRLJLJDGH-DGWZTRNLSA-N
  • Methyl (4aS,7R,8aR)-7-(2-methyl-1,3-dioxolan-2-yl)-2-{2-[1-(phenylsulfonyl)-1H-indol-3-yl]ethyl}-1,2,4a,7,8,8a-hexahydro-4-isoquinolinecarboxylate
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.