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(1,2-dicyclohexyl-2-oxidanylidene-ethyl) 4-methylbenzenesulfonate
SpectraBase Compound ID AypUBb95kYK
InChI InChI=1S/C21H30O4S/c1-16-12-14-19(15-13-16)26(23,24)25-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17/h12-15,17-18,21H,2-11H2,1H3
InChIKey RGBHTORCKXGLJY-UHFFFAOYSA-N
Mol Weight 378.53 g/mol
Molecular Formula C21H30O4S
Exact Mass 378.186481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Qt1p98V6Tg
Name (1,2-dicyclohexyl-2-oxidanylidene-ethyl) 4-methylbenzenesulfonate
Alternate Name(s) (1,2-dicyclohexyl-2-oxo-ethyl) 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid (1,2-dicyclohexyl-2-keto-ethyl) ester 4-Methylbenzenesulfonic acid (1,2-dicyclohexyl-2-oxoethyl) ester
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Formula C21H30O4S
InChI InChI=1S/C21H30O4S/c1-16-12-14-19(15-13-16)26(23,24)25-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17/h12-15,17-18,21H,2-11H2,1H3
InChIKey RGBHTORCKXGLJY-UHFFFAOYSA-N
Molecular Weight 378.527 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)(C(=O)C1CCCCC1)C1CCCCC1
SPLASH splash10-02h9-8961000000-3c1da2c6b383c706939b
Source of Spectrum KC-0-1222-16
Wiley ID 824842