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(2R,3R)-2,3-Dihydroxy-3-propylheptyl p-toluenesulfonate
SpectraBase Compound ID AWMVsPsiPpR
InChI InChI=1S/C17H28O5S/c1-4-6-12-17(19,11-5-2)16(18)13-22-23(20,21)15-9-7-14(3)8-10-15/h7-10,16,18-19H,4-6,11-13H2,1-3H3/t16-,17-/m1/s1
InChIKey GYTNAWATTZSKJS-IAGOWNOFSA-N
Mol Weight 344.47 g/mol
Molecular Formula C17H28O5S
Exact Mass 344.165745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID yBfMxhwTIr
Name (2R,3R)-2,3-Dihydroxy-3-propylheptyl p-toluenesulfonate
Alternate Name(s) (2R)-2,3-dihydroxy-3-propylheptyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O5S
InChI InChI=1S/C17H28O5S/c1-4-6-12-17(19,11-5-2)16(18)13-22-23(20,21)15-9-7-14(3)8-10-15/h7-10,16,18-19H,4-6,11-13H2,1-3H3/t16-,17-/m1/s1
InChIKey GYTNAWATTZSKJS-IAGOWNOFSA-N
Molecular Weight 344.466 g/mol
SMILES O[C@@]([C@](CCC)(O)CCCC)(COS(c1ccc(cc1)C)(=O)=O)[H]
SPLASH splash10-05di-0941000000-99146e69861a26e363bd
Source of Spectrum JF-333-887-9f
Wiley ID 1789708