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

*Links on SpectraBase are not permalinks.
(1R,3S)-Methyl-3-methoxy-1-phenyl-butane-1-sulfonate
SpectraBase Compound ID a6VgXbgpc6
InChI InChI=1S/C12H18O4S/c1-10(15-2)9-12(17(13,14)16-3)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3/t10-,12+/m0/s1
InChIKey KZGTXSHPALYTTL-CMPLNLGQSA-N
Mol Weight 258.33 g/mol
Molecular Formula C12H18O4S
Exact Mass 258.09258 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 1lXPh7242TA
Name (1R,3S)-Methyl-3-methoxy-1-phenyl-butane-1-sulfonate
Appearance Colourless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4S
InChI InChI=1S/C12H18O4S/c1-10(15-2)9-12(17(13,14)16-3)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3/t10-,12+/m0/s1
InChIKey KZGTXSHPALYTTL-CMPLNLGQSA-N
Instrument Name Finnigan SSQ7000
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0005.212
Molecular Weight 258.332 g/mol
Optical Rotation [a]D25 = +13.2 (c = 1.0, CHCl3)
SMILES COS(=O)(=O)[C@](C[C@](C)(OC)[H])(c1ccccc1)[H]
SPLASH splash10-0a4i-9200000000-7d0773f54f8de378b83d
Sample Comments 98% de, 98% ee
Source of Spectrum ARK-2004-185-(R,S)-3a
Wiley ID 1875955