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7-Hydroxyheptyl p-toleuenesulfonate

View entire compound with spectra: 1 MS (GC)

7-Hydroxyheptyl p-toleuenesulfonate
SpectraBase Compound ID 6t2KjiueDSz
InChI InChI=1S/C14H22O4S/c1-13-7-9-14(10-8-13)19(16,17)18-12-6-4-2-3-5-11-15/h7-10,15H,2-6,11-12H2,1H3
InChIKey ZITQJHPLVGYWRC-UHFFFAOYSA-N
Mol Weight 286.39 g/mol
Molecular Formula C14H22O4S
Exact Mass 286.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZzMALfXep5
Name 7-Hydroxyheptyl p-toleuenesulfonate
Alternate Name(s) 7-Hydroxyheptyl p-toluenesulfonate 7-hydroxyheptyl 4-methylbenzenesulfonate 7-oxidanylheptyl 4-methylbenzenesulfonate
Comments Less than 3 mono-isotopic peaks
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Formula C14H22O4S
InChI InChI=1S/C14H22O4S/c1-13-7-9-14(10-8-13)19(16,17)18-12-6-4-2-3-5-11-15/h7-10,15H,2-6,11-12H2,1H3
InChIKey ZITQJHPLVGYWRC-UHFFFAOYSA-N
Molecular Weight 286.386 g/mol
SMILES OCCCCCCCOS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0006-9010000000-e2cdbd7c2c13f509fb23
Source of Spectrum F-56-7937-29
Wiley ID 858729