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1-(Phenylsulfonyl)-7-hydroxyheptan-2-one

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1-(Phenylsulfonyl)-7-hydroxyheptan-2-one
SpectraBase Compound ID 8cqYhwv9UjY
InChI InChI=1S/C13H18O4S/c14-10-6-2-3-7-12(15)11-18(16,17)13-8-4-1-5-9-13/h1,4-5,8-9,14H,2-3,6-7,10-11H2
InChIKey XZMVAKKQJWUMIU-UHFFFAOYSA-N
Mol Weight 270.34 g/mol
Molecular Formula C13H18O4S
Exact Mass 270.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LsVyJHFIgGf
Name 1-(Phenylsulfonyl)-7-hydroxyheptan-2-one
Alternate Name(s) 7-Hydroxy-1-(phenylsulfonyl)-2-heptanone 1-(benzenesulfonyl)-7-hydroxy-2-heptanone 1-(benzenesulfonyl)-7-hydroxyheptan-2-one 1-(benzenesulfonyl)-7-hydroxy-heptan-2-one 7-Oxidanyl-1-(phenylsulfonyl)heptan-2-one
CAS Registry Number 88703-55-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4S
InChI InChI=1S/C13H18O4S/c14-10-6-2-3-7-12(15)11-18(16,17)13-8-4-1-5-9-13/h1,4-5,8-9,14H,2-3,6-7,10-11H2
InChIKey XZMVAKKQJWUMIU-UHFFFAOYSA-N
Molecular Weight 270.343 g/mol
SMILES OCCCCCC(CS(=O)(=O)c1ccccc1)=O
SPLASH splash10-0002-9000000000-f406498145488a25255d
Source of Spectrum J-49-1250-0
Wiley ID 1273833