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4-(Phenylsulfonyl)-2-methyl-1-hydroxyundecan-3-one
SpectraBase Compound ID 8gcBSyKbYFO
InChI InChI=1S/C18H28O4S/c1-3-4-5-6-10-13-17(18(20)15(2)14-19)23(21,22)16-11-8-7-9-12-16/h7-9,11-12,15,17,19H,3-6,10,13-14H2,1-2H3
InChIKey OTDCYFJHMYIWMN-UHFFFAOYSA-N
Mol Weight 340.48 g/mol
Molecular Formula C18H28O4S
Exact Mass 340.170831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7IobEAXnoLt
Name 4-(Phenylsulfonyl)-2-methyl-1-hydroxyundecan-3-one
Alternate Name(s) 1-Hydroxy-2-methyl-4-(phenylsulfonyl)-3-undecanone 4-(benzenesulfonyl)-1-hydroxy-2-methyl-3-undecanone 4-(benzenesulfonyl)-1-hydroxy-2-methylundecan-3-one 4-(benzenesulfonyl)-1-hydroxy-2-methyl-undecan-3-one 2-Methyl-1-oxidanyl-4-(phenylsulfonyl)undecan-3-one
CAS Registry Number 88703-51-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O4S
InChI InChI=1S/C18H28O4S/c1-3-4-5-6-10-13-17(18(20)15(2)14-19)23(21,22)16-11-8-7-9-12-16/h7-9,11-12,15,17,19H,3-6,10,13-14H2,1-2H3
InChIKey OTDCYFJHMYIWMN-UHFFFAOYSA-N
Molecular Weight 340.478 g/mol
SMILES OCC(C(C(S(=O)(=O)c1ccccc1)CCCCCCC)=O)C
SPLASH splash10-0005-9000000000-ac237b4523db8ba75ff1
Source of Spectrum J-49-1250-0
Wiley ID 1335071