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(R)-2-(O-Tosyl)-1-(4-benzyloxyphenyl)-1,2-ethanediol
SpectraBase Compound ID 6KG5Cmzun48
InChI InChI=1S/C22H22O5S/c1-17-7-13-21(14-8-17)28(24,25)27-16-22(23)19-9-11-20(12-10-19)26-15-18-5-3-2-4-6-18/h2-14,22-23H,15-16H2,1H3/t22-/m0/s1
InChIKey JMKSBBHKJXTZGR-QFIPXVFZSA-N
Mol Weight 398.47 g/mol
Molecular Formula C22H22O5S
Exact Mass 398.118795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2yXG1Sn3rm5
Name (R)-2-(O-Tosyl)-1-(4-benzyloxyphenyl)-1,2-ethanediol
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O5S
InChI InChI=1S/C22H22O5S/c1-17-7-13-21(14-8-17)28(24,25)27-16-22(23)19-9-11-20(12-10-19)26-15-18-5-3-2-4-6-18/h2-14,22-23H,15-16H2,1H3/t22-/m0/s1
InChIKey JMKSBBHKJXTZGR-QFIPXVFZSA-N
Instrument Name Finningen MAT TSQ 70
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0006.305
Molecular Weight 398.473 g/mol
Optical Rotation [a]D20 = -34.7 (c = 0.5, CHCl3)
SMILES O[C@](c1ccc(cc1)OCc1ccccc1)(COS(c1ccc(cc1)C)(=O)=O)[H]
SPLASH splash10-00mp-9422000000-e79d49630bcf483b330a
Source of Spectrum ARK-2005-40-7
Wiley ID 1871000