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4-(Phenylsulfonyl)-1-hydroxynonan-3-one

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4-(Phenylsulfonyl)-1-hydroxynonan-3-one
SpectraBase Compound ID CqfRREDxnmI
InChI InChI=1S/C15H22O4S/c1-2-3-5-10-15(14(17)11-12-16)20(18,19)13-8-6-4-7-9-13/h4,6-9,15-16H,2-3,5,10-12H2,1H3
InChIKey XSZPKHHNXQSXRB-UHFFFAOYSA-N
Mol Weight 298.4 g/mol
Molecular Formula C15H22O4S
Exact Mass 298.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2V5v8iDEUPO
Name 4-(Phenylsulfonyl)-1-hydroxynonan-3-one
Alternate Name(s) 1-Hydroxy-4-(phenylsulfonyl)-3-nonanone 4-(benzenesulfonyl)-1-hydroxy-3-nonanone 4-(benzenesulfonyl)-1-hydroxynonan-3-one 4-(benzenesulfonyl)-1-hydroxy-nonan-3-one 1-Oxidanyl-4-(phenylsulfonyl)nonan-3-one
CAS Registry Number 88703-49-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O4S
InChI InChI=1S/C15H22O4S/c1-2-3-5-10-15(14(17)11-12-16)20(18,19)13-8-6-4-7-9-13/h4,6-9,15-16H,2-3,5,10-12H2,1H3
InChIKey XSZPKHHNXQSXRB-UHFFFAOYSA-N
Molecular Weight 298.397 g/mol
SMILES OCCC(C(S(=O)(=O)c1ccccc1)CCCCC)=O
SPLASH splash10-002f-9100000000-4cd06b25fbc0f694097a
Source of Spectrum J-49-1250-0
Wiley ID 1300729