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

*Links on SpectraBase are not permalinks.
(3R,5R)-5-butyl-1,2-bis(p-toluenesulfonyl)pyrazolidin-3-ol
SpectraBase Compound ID EJLvDAJ5xdn
InChI InChI=1S/C21H28N2O5S2/c1-4-5-6-18-15-21(24)23(30(27,28)20-13-9-17(3)10-14-20)22(18)29(25,26)19-11-7-16(2)8-12-19/h7-14,18,21,24H,4-6,15H2,1-3H3/t18-,21-/m1/s1
InChIKey MOGSMOUGBNQDDE-WIYYLYMNSA-N
Mol Weight 452.58 g/mol
Molecular Formula C21H28N2O5S2
Exact Mass 452.143964 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 EPszazMJorZ
Name (3R,5R)-5-butyl-1,2-bis(p-toluenesulfonyl)pyrazolidin-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28N2O5S2
InChI InChI=1S/C21H28N2O5S2/c1-4-5-6-18-15-21(24)23(30(27,28)20-13-9-17(3)10-14-20)22(18)29(25,26)19-11-7-16(2)8-12-19/h7-14,18,21,24H,4-6,15H2,1-3H3/t18-,21-/m1/s1
InChIKey MOGSMOUGBNQDDE-WIYYLYMNSA-N
Literature Reference DOI 10.1002/adsc.201100722
Molecular Weight 452.584 g/mol
SMILES O[C@]1(N(N([C@@](C1)(CCCC)[H])S(c1ccc(cc1)C)(=O)=O)S(=O)(=O)c1ccc(cc1)C)[H]
SPLASH splash10-000f-8920000000-4589e9791a2a85000fb4
Source of Spectrum ASC-354-371/SM11-4r
Synonyms (3R,5R)-5-butyl-1,2-ditosylpyrazolidin-3-ol
Wiley ID 1762873