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1,1,1,3,3,3-hexafluoro-2-propyl 4-nitrobenzylsulfonate
SpectraBase Compound ID 1RB2JR7Pgh4
InChI InChI=1S/C10H7F6NO5S/c11-9(12,13)8(10(14,15)16)22-23(20,21)5-6-1-3-7(4-2-6)17(18)19/h1-4,8H,5H2
InChIKey FCPWSLQGOPTDKI-UHFFFAOYSA-N
Mol Weight 367.22 g/mol
Molecular Formula C10H7F6NO5S
Exact Mass 366.994912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H69JVtIM5KE
Name 1,1,1,3,3,3-hexafluoro-2-propyl 4-nitrobenzylsulfonate
Appearance Yellow crystals
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Exact Mass 366.994912476 u
Formula C10H7F6NO5S
InChI InChI=1S/C10H7F6NO5S/c11-9(12,13)8(10(14,15)16)22-23(20,21)5-6-1-3-7(4-2-6)17(18)19/h1-4,8H,5H2
InChIKey FCPWSLQGOPTDKI-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701766
Molecular Weight 367.218 g/mol
Quality 264
SMILES C(OS(=O)(=O)CC=1C=CC(=CC1)[N+]([O-])=O)(C(F)(F)F)C(F)(F)F
SPLASH splash10-000i-8901000000-db7a0044bd0eea938f97
Source of Spectrum K1-2018-SM20-30d (DOI: 10.1002/ejoc.201701766)
Wiley ID 1894020