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1,2-Heptanediol, 1-(4-methylbenzenesulfonate), (S)-
SpectraBase Compound ID CCaQZsItkJV
InChI InChI=1S/C14H22O4S/c1-3-4-5-6-13(15)11-18-19(16,17)14-9-7-12(2)8-10-14/h7-10,13,15H,3-6,11H2,1-2H3/t13-/m0/s1
InChIKey CEEDULOIVHXCGE-ZDUSSCGKSA-N
Mol Weight 286.39 g/mol
Molecular Formula C14H22O4S
Exact Mass 286.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BypzxUvWVTb
Name 1,2-Heptanediol, 1-(4-methylbenzenesulfonate), (S)-
Alternate Name(s) (-)-1-Tosyloxy-2(S)-heptanol 4-Methylbenzenesulfonic acid[(2S)-2-hydroxyheptyl]ester [(2S)-2-hydroxyheptyl]4-methylbenzenesulfonate [(2S)-2-oxidanylheptyl]4-methylbenzenesulfonate [(2S)-2-hydroxyheptyl] 4-methylbenzenesulfonate [(2S)-2-oxidanylheptyl] 4-methylbenzenesulfonate
CAS Registry Number 80800-66-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O4S
InChI InChI=1S/C14H22O4S/c1-3-4-5-6-13(15)11-18-19(16,17)14-9-7-12(2)8-10-14/h7-10,13,15H,3-6,11H2,1-2H3/t13-/m0/s1
InChIKey CEEDULOIVHXCGE-ZDUSSCGKSA-N
Molecular Weight 286.386 g/mol
SMILES O[C@](COS(c1ccc(cc1)C)(=O)=O)(CCCCC)[H]
SPLASH splash10-0a4l-9820000000-a0d727f12ee52b0dc06d
Source of Spectrum F-38-157-0
Wiley ID 1289542