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(S)-(+)-2-methyl-3-phenylpropane-1,2-diol 1-(p-toluenesulfonate)

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JNl74FiHM74
Name (S)-(+)-2-methyl-3-phenylpropane-1,2-diol 1-(p-toluenesulfonate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.108230294 u
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 C(OS(C=1C=CC(=CC1)C)(=O)=O)[C@](CC=1C=CC=CC1)(O)C