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3-Hexanol, 5-methyl-2-(phenylsulfonyl)-, (R*,R*)-
SpectraBase Compound ID 6hxYweuwDrt
InChI InChI=1S/C13H20O3S/c1-10(2)9-13(14)11(3)17(15,16)12-7-5-4-6-8-12/h4-8,10-11,13-14H,9H2,1-3H3/t11-,13-/m1/s1
InChIKey GDOWOAFRBKNIAG-DGCLKSJQSA-N
Mol Weight 256.36 g/mol
Molecular Formula C13H20O3S
Exact Mass 256.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ujRlVaAuId
Name 3-Hexanol, 5-methyl-2-(phenylsulfonyl)-, (R*,R*)-
Alternate Name(s) (2R,3R)-5-methyl-2-(phenylsulfonyl)-3-hexanol (erythro)-5-methyl-2-phenylsulphonylhexan-3-ol
CAS Registry Number 119181-44-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3S
InChI InChI=1S/C13H20O3S/c1-10(2)9-13(14)11(3)17(15,16)12-7-5-4-6-8-12/h4-8,10-11,13-14H,9H2,1-3H3/t11-,13-/m1/s1
InChIKey GDOWOAFRBKNIAG-DGCLKSJQSA-N
Molecular Weight 256.360 g/mol
SMILES O[C@@]([C@](S(=O)(=O)c1ccccc1)(C)[H])(CC(C)C)[H]
SPLASH splash10-00di-0900000000-79520bca0ab5629c09c4
Source of Spectrum KC-1988-2400-2
Wiley ID 1259556