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1-Tert-butyl-2,2-dimethyl-4-(perfluorohexylsulfonyl)-5-phenyl-2,5-dihydro-1H-pyrrolium-3-olate
SpectraBase Compound ID LimxdBv9Oqz
InChI InChI=1S/C22H22F13NO3S/c1-15(2,3)36-12(11-9-7-6-8-10-11)13(14(37)16(36,4)5)40(38,39)22(34,35)20(29,30)18(25,26)17(23,24)19(27,28)21(31,32)33/h6-10,12,37H,1-5H3
InChIKey HREDQIYHWIJFEM-UHFFFAOYSA-N
Mol Weight 627.46 g/mol
Molecular Formula C22H22F13NO3S
Exact Mass 627.111281 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7FPTGZ3B44y
Name 1-Tert-butyl-2,2-dimethyl-4-(perfluorohexylsulfonyl)-5-phenyl-2,5-dihydro-1H-pyrrolium-3-olate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22F13NO3S
InChI InChI=1S/C22H22F13NO3S/c1-15(2,3)36-12(11-9-7-6-8-10-11)13(14(37)16(36,4)5)40(38,39)22(34,35)20(29,30)18(25,26)17(23,24)19(27,28)21(31,32)33/h6-10,12,37H,1-5H3
InChIKey HREDQIYHWIJFEM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.200790121
Molecular Weight 627.461 g/mol
SMILES [NH+]1(C(C)(C)C)C(C(=C(C1(C)C)[O-])S(=O)(C(F)(C(C(F)(C(F)(F)C(F)(F)C(F)(F)F)F)(F)F)F)=O)c1ccccc1
SPLASH splash10-08fs-8300019000-d34787ad02e5c0bae1e9
Source of Spectrum CJC-25-651-3da
Synonyms 1-(tert-butyl)-2,2-dimethyl-4-((perfluorohexyl)sulfonyl)-5-phenyl-2,5-dihydro-1H-pyrrol-1-ium-3-olate
Wiley ID 1774426