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1-Tert-butyl-2,2-dimethyl-5-phenyl-4-(trifluoromethylsulfonyl)-2,5-dihydro-1H-pyrrolium-3-olate
SpectraBase Compound ID CulqQL2p1UA
InChI InChI=1S/C17H22F3NO3S/c1-15(2,3)21-12(11-9-7-6-8-10-11)13(14(22)16(21,4)5)25(23,24)17(18,19)20/h6-10,12,22H,1-5H3
InChIKey CBDQVVUAFHCBAD-UHFFFAOYSA-N
Mol Weight 377.42 g/mol
Molecular Formula C17H22F3NO3S
Exact Mass 377.127249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1mUNgzflBIW
Name 1-Tert-butyl-2,2-dimethyl-5-phenyl-4-(trifluoromethylsulfonyl)-2,5-dihydro-1H-pyrrolium-3-olate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22F3NO3S
InChI InChI=1S/C17H22F3NO3S/c1-15(2,3)21-12(11-9-7-6-8-10-11)13(14(22)16(21,4)5)25(23,24)17(18,19)20/h6-10,12,22H,1-5H3
InChIKey CBDQVVUAFHCBAD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.200790121
Molecular Weight 377.422 g/mol
SMILES [NH+]1(C(C(=C(C1(C)C)[O-])S(=O)(C(F)(F)F)=O)c1ccccc1)C(C)(C)C
SPLASH splash10-03di-3109000000-235e755fc49f82fdcea8
Source of Spectrum CJC-25-651-3ba
Synonyms 1-(tert-butyl)-2,2-dimethyl-5-phenyl-4-((trifluoromethyl)sulfonyl)-2,5-dihydro-1H-pyrrol-1-ium-3-olate 1-Tert-butyl-5,5-dimethyl-2-phenyl-3-(trifluoromethylsulfonyl)-2H-pyrrol-4-ol
Wiley ID 1774422