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(3-bromo-1-methyl-butyl) 4-methylbenzenesulfinate

View entire compound with spectra: 1 MS (GC)

(3-bromo-1-methyl-butyl) 4-methylbenzenesulfinate
SpectraBase Compound ID Hjv1e5Ljju0
InChI InChI=1S/C12H17BrO2S/c1-9-4-6-12(7-5-9)16(14)15-11(3)8-10(2)13/h4-7,10-11H,8H2,1-3H3
InChIKey LQNKYNYQMPZTFM-UHFFFAOYSA-N
Mol Weight 305.23 g/mol
Molecular Formula C12H17BrO2S
Exact Mass 304.013264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cNYwPPdppm
Name (3-bromo-1-methyl-butyl) 4-methylbenzenesulfinate
Alternate Name(s) 4-Bromanylpentan-2-yl 4-methylbenzenesulfinate 4-Bromopentan-2-yl 4-methylbenzenesulfinate 4-Methylbenzenesulfinic acid (3-bromo-1-methyl-butyl) ester 4-Methylbenzenesulfinic acid 4-bromopentan-2-yl ester
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Formula C12H17BrO2S
InChI InChI=1S/C12H17BrO2S/c1-9-4-6-12(7-5-9)16(14)15-11(3)8-10(2)13/h4-7,10-11H,8H2,1-3H3
InChIKey LQNKYNYQMPZTFM-UHFFFAOYSA-N
Molecular Weight 305.230 g/mol
SMILES c1(ccc(cc1)C)S(=O)OC(CC(C)Br)C
SPLASH splash10-0673-9600000000-8d167bb05d0938a54915
Source of Spectrum U1-2002-2755-45
Wiley ID 1522974