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1-Tert-butyl-4-(2-chloro-1,1,2,2-tetrafluoroethylsulfonyl)-2,2-dimethyl-5-phenyl-2,5-dihydro-1H-pyrrolium-3-olate
SpectraBase Compound ID IZjfiO41JoW
InChI InChI=1S/C18H22ClF4NO3S/c1-15(2,3)24-12(11-9-7-6-8-10-11)13(14(25)16(24,4)5)28(26,27)18(22,23)17(19,20)21/h6-10,12,25H,1-5H3
InChIKey HRDPGNUUVXBEAK-UHFFFAOYSA-N
Mol Weight 443.88 g/mol
Molecular Formula C18H22ClF4NO3S
Exact Mass 443.094505 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4pPJ8qZDmFi
Name 1-Tert-butyl-4-(2-chloro-1,1,2,2-tetrafluoroethylsulfonyl)-2,2-dimethyl-5-phenyl-2,5-dihydro-1H-pyrrolium-3-olate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22ClF4NO3S
InChI InChI=1S/C18H22ClF4NO3S/c1-15(2,3)24-12(11-9-7-6-8-10-11)13(14(25)16(24,4)5)28(26,27)18(22,23)17(19,20)21/h6-10,12,25H,1-5H3
InChIKey HRDPGNUUVXBEAK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.200790121
Molecular Weight 443.885 g/mol
SMILES [NH+]1(C(C(=C(C1c1ccccc1)S(=O)(=O)C(C(F)(F)Cl)(F)F)[O-])(C)C)C(C)(C)C
SPLASH splash10-05dj-9301700000-5ad75caf8086f95684cb
Source of Spectrum CJC-25-651-3aa
Synonyms 1-(tert-butyl)-4-((2-chloro-1,1,2,2-tetrafluoroethyl)sulfonyl)-2,2-dimethyl-5-phenyl-2,5-dihydro-1H-pyrrol-1-ium-3-olate
Wiley ID 1774420