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2-(Benzyloxymethyl)-3,3-dimethylbutyl toluene-p-sulfonate
SpectraBase Compound ID 2klS9PdGDzQ
InChI InChI=1S/C21H28O4S/c1-17-10-12-20(13-11-17)26(22,23)25-16-19(21(2,3)4)15-24-14-18-8-6-5-7-9-18/h5-13,19H,14-16H2,1-4H3
InChIKey UPFVPJZMIHWXJB-UHFFFAOYSA-N
Mol Weight 376.51 g/mol
Molecular Formula C21H28O4S
Exact Mass 376.170831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cnfLZMYUgu
Name 2-(Benzyloxymethyl)-3,3-dimethylbutyl toluene-p-sulfonate
Alternate Name(s) 4-Methylbenzenesulfonic acid [3,3-dimethyl-2-(phenylmethoxymethyl)butyl] ester [2-(benzyloxymethyl)-3,3-dimethyl-butyl] 4-methylbenzenesulfonate [3,3-dimethyl-2-(phenylmethoxymethyl)butyl] 4-methylbenzenesulfonate
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Formula C21H28O4S
InChI InChI=1S/C21H28O4S/c1-17-10-12-20(13-11-17)26(22,23)25-16-19(21(2,3)4)15-24-14-18-8-6-5-7-9-18/h5-13,19H,14-16H2,1-4H3
InChIKey UPFVPJZMIHWXJB-UHFFFAOYSA-N
Molecular Weight 376.511 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)C(C(C)(C)C)COCc1ccccc1
SPLASH splash10-06r7-9000000000-aa12fabc50861dd20d32
Source of Spectrum KC-0-2790-10
Wiley ID 822481