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Methanesulfonic acid, trifluoro-, ion(1-), tris(4-hydroxyphenyl)sulfoniumCM 1Sulfonium, tris(4-hydroxyphenyl)-, salt with trifluoromethanesulfonic acid, (1:1
SpectraBase Compound ID 8k8S8f7ZGGo
InChI InChI=1S/C18H14O3S.CHF3O3S/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;2-1(3,4)8(5,6)7/h1-12H,(H2-,19,20,21);(H,5,6,7)
InChIKey CLUKQZWNNHBNCR-UHFFFAOYSA-N
Mol Weight 460.44 g/mol
Molecular Formula C19H15F3O6S2
Exact Mass 460.026215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2znYoW3K15h
Name Methanesulfonic acid, trifluoro-, ion(1-), tris(4-hydroxyphenyl)sulfoniumcm 1sulfonium, tris(4-hydroxyphenyl)-, salt with trifluoromethanesulfonic acid, (1:1); sulfonium, tris(4-hydroxyphenyl)-, trifluoromethylsulfonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.026215034 u
Formula C19H15F3O6S2
InChI InChI=1S/C18H14O3S.CHF3O3S/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;2-1(3,4)8(5,6)7/h1-12H,(H2-,19,20,21);(H,5,6,7)
InChIKey CLUKQZWNNHBNCR-UHFFFAOYSA-N
Molecular Weight 460.438 g/mol
SMILES OC1=CC=C([S+](C2=CC=C(C=C2)O)C2=CC=C(C=C2)O)C=C1.C(S(=O)(=O)[O-])(F)(F)F