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

*Links on SpectraBase are not permalinks.
(3aR*,5R*)-5-Methyl-7-(phenylthio)-2-tosyl-2,3,3a,4,5,6-hexahydro-1H-isoindol-1-one
SpectraBase Compound ID KHZpvlnGAKc
InChI InChI=1S/C22H23NO3S2/c1-15-8-10-19(11-9-15)28(25,26)23-14-17-12-16(2)13-20(21(17)22(23)24)27-18-6-4-3-5-7-18/h3-11,16-17H,12-14H2,1-2H3/t16-,17+/m1/s1
InChIKey ZBAXZSJDHFVCJR-SJORKVTESA-N
Mol Weight 413.55 g/mol
Molecular Formula C22H23NO3S2
Exact Mass 413.111936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID GTjzK4xZ1o3
Name (3aR*,5R*)-5-Methyl-7-(phenylthio)-2-tosyl-2,3,3a,4,5,6-hexahydro-1H-isoindol-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23NO3S2
InChI InChI=1S/C22H23NO3S2/c1-15-8-10-19(11-9-15)28(25,26)23-14-17-12-16(2)13-20(21(17)22(23)24)27-18-6-4-3-5-7-18/h3-11,16-17H,12-14H2,1-2H3/t16-,17+/m1/s1
InChIKey ZBAXZSJDHFVCJR-SJORKVTESA-N
Molecular Weight 413.550 g/mol
SMILES c1(S(N2C(C3=C(Sc4ccccc4)C[C@@](C[C@]3(C2)[H])(C)[H])=O)(=O)=O)ccc(cc1)C
SPLASH splash10-01po-9260300000-b8a8899a9e300fb146eb
Source of Spectrum F-68-1189-11
Wiley ID 1707638