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(5-bromanyl-2,2-dimethyl-hexan-3-yl) benzenesulfonate
SpectraBase Compound ID 4r8zJYIdj8y
InChI InChI=1S/C14H21BrO3S/c1-11(15)10-13(14(2,3)4)18-19(16,17)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3
InChIKey CMZUWBHDMYCWRU-UHFFFAOYSA-N
Mol Weight 349.28 g/mol
Molecular Formula C14H21BrO3S
Exact Mass 348.039479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7vPN450tNGK
Name (5-bromanyl-2,2-dimethyl-hexan-3-yl) benzenesulfonate
Alternate Name(s) (5-bromo-2,2-dimethylhexan-3-yl) benzenesulfonate benzenesulfonic acid (3-bromo-1-tert-butyl-butyl) ester benzenesulfonic acid (5-bromo-2,2-dimethylhexan-3-yl) ester
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Formula C14H21BrO3S
InChI InChI=1S/C14H21BrO3S/c1-11(15)10-13(14(2,3)4)18-19(16,17)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3
InChIKey CMZUWBHDMYCWRU-UHFFFAOYSA-N
Molecular Weight 349.283 g/mol
SMILES c1(ccccc1)S(=O)(=O)OC(CC(C)Br)C(C)(C)C
SPLASH splash10-052f-6950000000-b130b81767bdba0fe698
Source of Spectrum U1-2002-2750-7
Wiley ID 1522993