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(2-benzyloxy-1-methyl-ethyl) 4-methylbenzenesulfonate
SpectraBase Compound ID I3rrNHUlGq8
InChI InChI=1S/C17H20O4S/c1-14-8-10-17(11-9-14)22(18,19)21-15(2)12-20-13-16-6-4-3-5-7-16/h3-11,15H,12-13H2,1-2H3
InChIKey SUJDHOPYTYYIDS-UHFFFAOYSA-N
Mol Weight 320.4 g/mol
Molecular Formula C17H20O4S
Exact Mass 320.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JgCFyuZlBcV
Name (2-benzyloxy-1-methyl-ethyl) 4-methylbenzenesulfonate
Alternate Name(s) 2-(Benzyloxy)-1-methylethyl 4-methylbenzenesulfonate 1-Phenylmethoxypropan-2-yl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid (2-benzoxy-1-methyl-ethyl) ester 4-Methylbenzenesulfonic acid 1-phenylmethoxypropan-2-yl ester Toluene-4-sulfonic acid, 2-benzyloxy-1-methylethyl ester
Comments Note: The molecular formula of the structure shown is C17H20O4S - which differs from the formula reported for the mass spectrum (C17H19DO4S)
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Formula C17H19DO4S
InChI InChI=1S/C17H20O4S/c1-14-8-10-17(11-9-14)22(18,19)21-15(2)12-20-13-16-6-4-3-5-7-16/h3-11,15H,12-13H2,1-2H3
InChIKey SUJDHOPYTYYIDS-UHFFFAOYSA-N
Molecular Weight 320.403 g/mol
SMILES c1cc(ccc1C)S(=O)(=O)OC(C)COCc1ccccc1
SPLASH splash10-0a4l-9800000000-95b69ca7435f7b536d01
Wiley ID 1483482