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2-Methyl-5-phenylsulphonylpentadecane-4,6-diol
SpectraBase Compound ID CObSJ4dU69C
InChI InChI=1S/C22H38O4S/c1-4-5-6-7-8-9-13-16-20(23)22(21(24)17-18(2)3)27(25,26)19-14-11-10-12-15-19/h10-12,14-15,18,20-24H,4-9,13,16-17H2,1-3H3
InChIKey FRPZKOJJLUNKJF-UHFFFAOYSA-N
Mol Weight 398.6 g/mol
Molecular Formula C22H38O4S
Exact Mass 398.249081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K1YEaVeldBB
Name 2-Methyl-5-phenylsulphonylpentadecane-4,6-diol
CAS Registry Number 119181-40-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H38O4S
InChI InChI=1S/C22H38O4S/c1-4-5-6-7-8-9-13-16-20(23)22(21(24)17-18(2)3)27(25,26)19-14-11-10-12-15-19/h10-12,14-15,18,20-24H,4-9,13,16-17H2,1-3H3
InChIKey FRPZKOJJLUNKJF-UHFFFAOYSA-N
Molecular Weight 398.602 g/mol
SMILES OC(C(C(O)CCCCCCCCC)S(=O)(=O)c1ccccc1)CC(C)C
SPLASH splash10-00dl-0890000000-5eefff5786b782759d3d
Source of Spectrum KC-1988-2401-3
Synonyms 2-Methyl-5-(phenylsulfonyl)-4,6-pentadecanediol
Wiley ID 1368441