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

View entire compound with spectra: 1 MS (GC)

4-(Phenylsulfonyl)-1-hydroxyundecan-3-one
SpectraBase Compound ID E7d6W4faq9Y
InChI InChI=1S/C17H26O4S/c1-2-3-4-5-9-12-17(16(19)13-14-18)22(20,21)15-10-7-6-8-11-15/h6-8,10-11,17-18H,2-5,9,12-14H2,1H3
InChIKey VTGSNBXFOVBOBA-UHFFFAOYSA-N
Mol Weight 326.45 g/mol
Molecular Formula C17H26O4S
Exact Mass 326.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6FK7rqfzmdS
Name 4-(Phenylsulfonyl)-1-hydroxyundecan-3-one
Alternate Name(s) 1-Hydroxy-4-(phenylsulfonyl)-3-undecanone 4-(benzenesulfonyl)-1-hydroxy-3-undecanone 4-(benzenesulfonyl)-1-hydroxyundecan-3-one 4-(benzenesulfonyl)-1-hydroxy-undecan-3-one 1-Oxidanyl-4-(phenylsulfonyl)undecan-3-one
CAS Registry Number 88703-50-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O4S
InChI InChI=1S/C17H26O4S/c1-2-3-4-5-9-12-17(16(19)13-14-18)22(20,21)15-10-7-6-8-11-15/h6-8,10-11,17-18H,2-5,9,12-14H2,1H3
InChIKey VTGSNBXFOVBOBA-UHFFFAOYSA-N
Molecular Weight 326.451 g/mol
SMILES OCCC(C(S(=O)(=O)c1ccccc1)CCCCCCC)=O
SPLASH splash10-052f-9100000000-9c8b5fb5712d716f629a
Source of Spectrum J-49-1250-0
Wiley ID 1324659