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1,2,2-trimethyl-4-(perfluorohexylsulfonyl)-5-phenyl-2,5-dihydro-1H-pyrrolium-3-olate
SpectraBase Compound ID IiH5oXxmb4G
InChI InChI=1S/C19H16F13NO3S/c1-13(2)12(34)11(10(33(13)3)9-7-5-4-6-8-9)37(35,36)19(31,32)17(26,27)15(22,23)14(20,21)16(24,25)18(28,29)30/h4-8,10,34H,1-3H3
InChIKey PHXPWHUBJQLRGO-UHFFFAOYSA-N
Mol Weight 585.38 g/mol
Molecular Formula C19H16F13NO3S
Exact Mass 585.064331 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AdwN9JF85Ce
Name 1,2,2-trimethyl-4-(perfluorohexylsulfonyl)-5-phenyl-2,5-dihydro-1H-pyrrolium-3-olate
Alternate Name(s) 1,2,2-trimethyl-4-((perfluorohexyl)sulfonyl)-5-phenyl-2,5-dihydro-1H-pyrrol-1-ium-3-olate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16F13NO3S
InChI InChI=1S/C19H16F13NO3S/c1-13(2)12(34)11(10(33(13)3)9-7-5-4-6-8-9)37(35,36)19(31,32)17(26,27)15(22,23)14(20,21)16(24,25)18(28,29)30/h4-8,10,34H,1-3H3
InChIKey PHXPWHUBJQLRGO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.200790121
Molecular Weight 585.380 g/mol
SMILES [NH+]1(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)C
SPLASH splash10-0avr-9500000000-affacb947794d2ee27c5
Source of Spectrum CJC-25-651-3db
Wiley ID 1774427