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1,1,1,3,3,3-hexafluoroisopropyl 3-bromobenzylsulfonate
SpectraBase Compound ID 3jrLgGwzrG7
InChI InChI=1S/C10H7BrF6O3S/c11-7-3-1-2-6(4-7)5-21(18,19)20-8(9(12,13)14)10(15,16)17/h1-4,8H,5H2
InChIKey SDDMLZAEJMBESH-UHFFFAOYSA-N
Mol Weight 401.12 g/mol
Molecular Formula C10H7BrF6O3S
Exact Mass 399.920347 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GrX84VmtNs9
Name 1,1,1,3,3,3-hexafluoroisopropyl 3-bromobenzylsulfonate
Appearance White solid
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Exact Mass 399.920347234 u
Formula C10H7BrF6O3S
InChI InChI=1S/C10H7BrF6O3S/c11-7-3-1-2-6(4-7)5-21(18,19)20-8(9(12,13)14)10(15,16)17/h1-4,8H,5H2
InChIKey SDDMLZAEJMBESH-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701766
Molecular Weight 401.117 g/mol
Quality 148
SMILES C(OS(=O)(=O)CC1=CC(=CC=C1)Br)(C(F)(F)F)C(F)(F)F
SPLASH splash10-01b9-2900200000-746e0393f787dcf0d633
Source of Spectrum K1-2018-SM19-30b (DOI: 10.1002/ejoc.201701766)
Wiley ID 1894018