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(3-Oxocyclohexyl)methyl 4-methylbenzenesulfonate
SpectraBase Compound ID Cb6c0FFf7GJ
InChI InChI=1S/C14H18O4S/c1-11-5-7-14(8-6-11)19(16,17)18-10-12-3-2-4-13(15)9-12/h5-8,12H,2-4,9-10H2,1H3
InChIKey SCDQRFSGQHJVDK-UHFFFAOYSA-N
Mol Weight 282.35 g/mol
Molecular Formula C14H18O4S
Exact Mass 282.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C5JoMPik3BQ
Name (3-Oxocyclohexyl)methyl 4-methylbenzenesulfonate
Alternate Name(s) (3-oxidanylidenecyclohexyl)methyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid (3-ketocyclohexyl)methyl ester 4-Methylbenzenesulfonic acid (3-oxocyclohexyl)methyl ester Cyclohexanone, 3-(hydroxymethyl)-, p-toluenesulfonate
CAS Registry Number 94112-88-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O4S
InChI InChI=1S/C14H18O4S/c1-11-5-7-14(8-6-11)19(16,17)18-10-12-3-2-4-13(15)9-12/h5-8,12H,2-4,9-10H2,1H3
InChIKey SCDQRFSGQHJVDK-UHFFFAOYSA-N
Molecular Weight 282.354 g/mol
SMILES C1(=O)CCCC(COS(c2ccc(C)cc2)(=O)=O)C1
SPLASH splash10-08gl-9300000000-997ffe0deffed54aa80f
Wiley ID 1485590