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3-Bromo-3-methylbutyl 4-fluorobenzenesulfonate
SpectraBase Compound ID HnbQTJO6G3v
InChI InChI=1S/C11H14BrFO3S/c1-11(2,12)7-8-16-17(14,15)10-5-3-9(13)4-6-10/h3-6H,7-8H2,1-2H3
InChIKey YFXCPXDFNWTCGN-UHFFFAOYSA-N
Mol Weight 325.19 g/mol
Molecular Formula C11H14BrFO3S
Exact Mass 323.983107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kv2o7Wj1oyk
Name 3-Bromo-3-methylbutyl 4-fluorobenzenesulfonate
Appearance Colorless oil
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Exact Mass 323.983106645 u
Formula C11H14BrFO3S
InChI InChI=1S/C11H14BrFO3S/c1-11(2,12)7-8-16-17(14,15)10-5-3-9(13)4-6-10/h3-6H,7-8H2,1-2H3
InChIKey YFXCPXDFNWTCGN-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201708197
Molecular Weight 325.192 g/mol
Quality 135
Reported Formula C11H14FO3SBr
SMILES C(C(Br)(C)C)COS(C1=CC=C(C=C1)F)(=O)=O
SPLASH splash10-014i-9000000000-2ff9e0d95139d732eede
Source of Spectrum ACI-56-SM6-Br-1h (DOI: 10.1002/anie.201708197)
Wiley ID 1896579