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

*Links on SpectraBase are not permalinks.
4-Piperidinol, 3-bromo-5,5-dimethyl-1-[(4-methylphenyl)sulfonyl]-2-phenyl-, (2.alpha.,3.beta.,4.beta.)-
SpectraBase Compound ID I7mv6FhnliJ
InChI InChI=1S/C20H24BrNO3S/c1-14-9-11-16(12-10-14)26(24,25)22-13-20(2,3)19(23)17(21)18(22)15-7-5-4-6-8-15/h4-12,17-19,23H,13H2,1-3H3/t17-,18-,19-/m1/s1
InChIKey OAKZWHSPAXUNGY-GUDVDZBRSA-N
Mol Weight 438.38 g/mol
Molecular Formula C20H24BrNO3S
Exact Mass 437.066028 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 5Y3QtebVVd1
Name 4-Piperidinol, 3-bromo-5,5-dimethyl-1-[(4-methylphenyl)sulfonyl]-2-phenyl-, (2.alpha.,3.beta.,4.beta.)-
CAS Registry Number 117754-77-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24BrNO3S
InChI InChI=1S/C20H24BrNO3S/c1-14-9-11-16(12-10-14)26(24,25)22-13-20(2,3)19(23)17(21)18(22)15-7-5-4-6-8-15/h4-12,17-19,23H,13H2,1-3H3/t17-,18-,19-/m1/s1
InChIKey OAKZWHSPAXUNGY-GUDVDZBRSA-N
Molecular Weight 438.380 g/mol
SMILES O[C@]1(C(CN(S(c2ccc(cc2)C)(=O)=O)[C@@]([C@]1(Br)[H])(c1ccccc1)[H])(C)C)[H]
SPLASH splash10-0m4o-6493100000-3e6046086a4c5c15ecc9
Source of Spectrum J-53-5498-5
Synonyms (2R,3R,4S)-3-bromo-5,5-dimethyl-1-[(4-methylphenyl)sulfonyl]-2-phenyl-4-piperidinol trans,cis-N-(p-toylsulfonyl)-2-phenyl-3-bromo-4-hydroxy-5,5-dimethylpiperidine
Wiley ID 1383754