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(2R,3R)-2,3-Dihydroxy-3-ethylheptyl p-toluenesulfonate
SpectraBase Compound ID 1G6lVg967HR
InChI InChI=1S/C16H26O5S/c1-4-6-11-16(18,5-2)15(17)12-21-22(19,20)14-9-7-13(3)8-10-14/h7-10,15,17-18H,4-6,11-12H2,1-3H3/t15-,16-/m1/s1
InChIKey CCIPHPHGMWQWDX-HZPDHXFCSA-N
Mol Weight 330.44 g/mol
Molecular Formula C16H26O5S
Exact Mass 330.150095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FK7fot8kUlK
Name (2R,3R)-2,3-Dihydroxy-3-ethylheptyl p-toluenesulfonate
Alternate Name(s) (2R)-3-ethyl-2,3-dihydroxyheptyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O5S
InChI InChI=1S/C16H26O5S/c1-4-6-11-16(18,5-2)15(17)12-21-22(19,20)14-9-7-13(3)8-10-14/h7-10,15,17-18H,4-6,11-12H2,1-3H3/t15-,16-/m1/s1
InChIKey CCIPHPHGMWQWDX-HZPDHXFCSA-N
Literature Reference DOI 10.1002/prac.19913330610
Molecular Weight 330.439 g/mol
SMILES O[C@@]([C@](CC)(O)CCCC)(COS(c1ccc(cc1)C)(=O)=O)[H]
SPLASH splash10-014i-0960000000-78bf5f9d1207454a180c
Source of Spectrum JF-333-887-9e
Wiley ID 1789707