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2-(hydroxymethyl)-2-(p-tolylsulphonyloxymethyl)cyclohexan-1-one
SpectraBase Compound ID GUqB8LuXk0s
InChI InChI=1S/C15H20O5S/c1-12-5-7-13(8-6-12)21(18,19)20-11-15(10-16)9-3-2-4-14(15)17/h5-8,16H,2-4,9-11H2,1H3
InChIKey KQOBCBONSWAXON-UHFFFAOYSA-N
Mol Weight 312.38 g/mol
Molecular Formula C15H20O5S
Exact Mass 312.103145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2InqJ2aoyCA
Name 2-(hydroxymethyl)-2-(p-tolylsulphonyloxymethyl)cyclohexan-1-one
Alternate Name(s) [1-(hydroxymethyl)-2-oxocyclohexyl]methyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O5S
InChI InChI=1S/C15H20O5S/c1-12-5-7-13(8-6-12)21(18,19)20-11-15(10-16)9-3-2-4-14(15)17/h5-8,16H,2-4,9-11H2,1H3
InChIKey KQOBCBONSWAXON-UHFFFAOYSA-N
Molecular Weight 312.380 g/mol
SMILES OCC1(COS(c2ccc(cc2)C)(=O)=O)C(=O)CCCC1
SPLASH splash10-0a4i-0930000000-74bc42d4d4282b65e35d
Source of Spectrum KC-1991-1553-19
Wiley ID 1313028