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3-Bromo-3-methylbutyl ethanesulfonate
SpectraBase Compound ID CxKI0nOzk9n
InChI InChI=1S/C7H15BrO3S/c1-4-12(9,10)11-6-5-7(2,3)8/h4-6H2,1-3H3
InChIKey NKZQOWYBPJGOHJ-UHFFFAOYSA-N
Mol Weight 259.16 g/mol
Molecular Formula C7H15BrO3S
Exact Mass 257.992529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KmbK12yhu7m
Name 3-Bromo-3-methylbutyl ethanesulfonate
Appearance Colorless oil
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Formula C7H15BrO3S
InChI InChI=1S/C7H15BrO3S/c1-4-12(9,10)11-6-5-7(2,3)8/h4-6H2,1-3H3
InChIKey NKZQOWYBPJGOHJ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201708197
Molecular Weight 259.158 g/mol
Quality 211
Reported Formula C7H15O3SBr
SMILES C(C(Br)(C)C)COS(CC)(=O)=O
SPLASH splash10-014i-9000000000-4ec72d48e02916d4e5fb
Source of Spectrum ACI-56-SM6-Br-1g (DOI: 10.1002/anie.201708197)
Wiley ID 1896578