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3-Phenylsulphonyltridecane-2,4-diol
SpectraBase Compound ID GI2gn8PWVwR
InChI InChI=1S/C19H32O4S/c1-3-4-5-6-7-8-12-15-18(21)19(16(2)20)24(22,23)17-13-10-9-11-14-17/h9-11,13-14,16,18-21H,3-8,12,15H2,1-2H3
InChIKey ACYQBKGBGDPDPV-UHFFFAOYSA-N
Mol Weight 356.5 g/mol
Molecular Formula C19H32O4S
Exact Mass 356.202131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2VgpUYI82Y2
Name 3-Phenylsulphonyltridecane-2,4-diol
CAS Registry Number 119061-48-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H32O4S
InChI InChI=1S/C19H32O4S/c1-3-4-5-6-7-8-12-15-18(21)19(16(2)20)24(22,23)17-13-10-9-11-14-17/h9-11,13-14,16,18-21H,3-8,12,15H2,1-2H3
InChIKey ACYQBKGBGDPDPV-UHFFFAOYSA-N
Molecular Weight 356.521 g/mol
SMILES OC(C(C(O)CCCCCCCCC)S(=O)(=O)c1ccccc1)C
SPLASH splash10-004l-0890000000-27f20f395e7aae0ab08f
Source of Spectrum KC-1988-2401-3
Synonyms 3-(Phenylsulfonyl)-2,4-tridecanediol
Wiley ID 1345752