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Methyl (1R)-3-Hydroxy-3-methyl-1-phenylbutane-1-sulfonate
SpectraBase Compound ID KQFHhUwjcpo
InChI InChI=1S/C12H18O4S/c1-12(2,13)9-11(17(14,15)16-3)10-7-5-4-6-8-10/h4-8,11,13H,9H2,1-3H3/t11-/m1/s1
InChIKey JUKBVNSNJPYWIP-LLVKDONJSA-N
Mol Weight 258.33 g/mol
Molecular Formula C12H18O4S
Exact Mass 258.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID U9JunyM1qW
Name Methyl (1R)-3-Hydroxy-3-methyl-1-phenylbutane-1-sulfonate
Alternate Name(s) Methyl (1R)-3-hydroxy-3-methyl-1-phenyl-1-butanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4S
InChI InChI=1S/C12H18O4S/c1-12(2,13)9-11(17(14,15)16-3)10-7-5-4-6-8-10/h4-8,11,13H,9H2,1-3H3/t11-/m1/s1
InChIKey JUKBVNSNJPYWIP-LLVKDONJSA-N
Molecular Weight 258.332 g/mol
SMILES OC(C[C@@](S(=O)(=O)OC)(c1ccccc1)[H])(C)C
SPLASH splash10-0a4i-9500000000-d1d4c2fea356a37e1d98
Source of Spectrum C5-2004-593-3
Wiley ID 1616655