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(3-bromo-1,1-dimethyl-butyl) 4-methylbenzenesulfinate
SpectraBase Compound ID 28UcmxAatD5
InChI InChI=1S/C13H19BrO2S/c1-10-5-7-12(8-6-10)17(15)16-13(3,4)9-11(2)14/h5-8,11H,9H2,1-4H3
InChIKey ABOXHSBYFNTFBL-UHFFFAOYSA-N
Mol Weight 319.26 g/mol
Molecular Formula C13H19BrO2S
Exact Mass 318.028914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ocrPQGzaJS
Name (3-bromo-1,1-dimethyl-butyl) 4-methylbenzenesulfinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19BrO2S
InChI InChI=1S/C13H19BrO2S/c1-10-5-7-12(8-6-10)17(15)16-13(3,4)9-11(2)14/h5-8,11H,9H2,1-4H3
InChIKey ABOXHSBYFNTFBL-UHFFFAOYSA-N
Molecular Weight 319.257 g/mol
SMILES c1(ccc(cc1)C)S(=O)OC(CC(C)Br)(C)C
SPLASH splash10-001u-9400000000-a35470464277e16a9d22
Source of Spectrum U1-2002-2755-46
Synonyms (4-bromanyl-2-methyl-pentan-2-yl) 4-methylbenzenesulfinate (4-bromo-2-methylpentan-2-yl) 4-methylbenzenesulfinate 4-Methylbenzenesulfinic acid (3-bromo-1,1-dimethyl-butyl) ester 4-Methylbenzenesulfinic acid (4-bromo-2-methylpentan-2-yl) ester
Wiley ID 1522973