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3-Bromo-1-isopropylbutyl benzenesulfonate

View entire compound with spectra: 1 MS (GC)

3-Bromo-1-isopropylbutyl benzenesulfonate
SpectraBase Compound ID Fb4W6ny9Ov8
InChI InChI=1S/C13H19BrO3S/c1-10(2)13(9-11(3)14)17-18(15,16)12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3
InChIKey YPAMNSOLJXFKAY-UHFFFAOYSA-N
Mol Weight 335.26 g/mol
Molecular Formula C13H19BrO3S
Exact Mass 334.023829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TkpaLOUX5m
Name 3-Bromo-1-isopropylbutyl benzenesulfonate
Alternate Name(s) benzenesulfonic acid (5-bromo-2-methylhexan-3-yl) ester (5-bromo-2-methylhexan-3-yl) benzenesulfonate (3-bromo-1-isopropyl-butyl) benzenesulfonate (5-bromanyl-2-methyl-hexan-3-yl) benzenesulfonate
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Formula C13H19BrO3S
InChI InChI=1S/C13H19BrO3S/c1-10(2)13(9-11(3)14)17-18(15,16)12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3
InChIKey YPAMNSOLJXFKAY-UHFFFAOYSA-N
Molecular Weight 335.256 g/mol
SMILES C(OS(=O)(=O)c1ccccc1)(CC(Br)C)C(C)C
SPLASH splash10-002f-9430000000-e3b66007e5fd8752779f
Source of Spectrum U1-2002-2750-7
Wiley ID 1522994