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(S)-(+)-2-methyl-3-phenylpropane-1,2-diol 1-(p-toluenesulfonate)
SpectraBase Compound ID LrTY0uulSSB
InChI InChI=1S/C17H20O4S/c1-14-8-10-16(11-9-14)22(19,20)21-13-17(2,18)12-15-6-4-3-5-7-15/h3-11,18H,12-13H2,1-2H3/t17-/m0/s1
InChIKey DMQYEWHAOUWPTD-KRWDZBQOSA-N
Mol Weight 320.4 g/mol
Molecular Formula C17H20O4S
Exact Mass 320.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LGlkQvvEjVR
Name (S)-(+)-2-Methyl-3-phenylpropane-1,2-diol 1-(p-toluenesulfonate)
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O4S
InChI InChI=1S/C17H20O4S/c1-14-8-10-16(11-9-14)22(19,20)21-13-17(2,18)12-15-6-4-3-5-7-15/h3-11,18H,12-13H2,1-2H3/t17-/m0/s1
InChIKey DMQYEWHAOUWPTD-KRWDZBQOSA-N
Molecular Weight 320.403 g/mol
SMILES O[C@](COS(c1ccc(cc1)C)(=O)=O)(Cc1ccccc1)C
SPLASH splash10-054o-9640000000-876396d58eeb4386a487
Source of Spectrum SO-0-1261-5
Synonyms (2S)-2-hydroxy-2-methyl-3-phenylpropyl 4-methylbenzenesulfonate
Wiley ID 875801