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6-(Phenylsulfonyl)-1-hydroxytridecan-5-one
SpectraBase Compound ID 3qSGL6GjBHK
InChI InChI=1S/C19H30O4S/c1-2-3-4-5-9-15-19(18(21)14-10-11-16-20)24(22,23)17-12-7-6-8-13-17/h6-8,12-13,19-20H,2-5,9-11,14-16H2,1H3
InChIKey DIUREJZAMQXUIK-UHFFFAOYSA-N
Mol Weight 354.51 g/mol
Molecular Formula C19H30O4S
Exact Mass 354.186481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ExLPOzNoPYY
Name 6-(Phenylsulfonyl)-1-hydroxytridecan-5-one
Alternate Name(s) 1-Hydroxy-6-(phenylsulfonyl)-5-tridecanone 6-(benzenesulfonyl)-1-hydroxy-5-tridecanone 6-(benzenesulfonyl)-1-hydroxytridecan-5-one 6-(benzenesulfonyl)-1-hydroxy-tridecan-5-one 1-Oxidanyl-6-(phenylsulfonyl)tridecan-5-one
CAS Registry Number 88703-54-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30O4S
InChI InChI=1S/C19H30O4S/c1-2-3-4-5-9-15-19(18(21)14-10-11-16-20)24(22,23)17-12-7-6-8-13-17/h6-8,12-13,19-20H,2-5,9-11,14-16H2,1H3
InChIKey DIUREJZAMQXUIK-UHFFFAOYSA-N
Molecular Weight 354.505 g/mol
SMILES OCCCCC(C(S(=O)(=O)c1ccccc1)CCCCCCC)=O
SPLASH splash10-052g-9200000000-d15b6a7f0dd7d7c47ce1
Source of Spectrum J-49-1250-0
Wiley ID 1344507