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1-{[2,5-bis(2,2,2-Trifluoroethoxy)phenyl]sulfonyl}pyrrole

View entire compound with spectra: 3 NMR, and 1 FTIR

1-{[2,5-bis(2,2,2-Trifluoroethoxy)phenyl]sulfonyl}pyrrole
SpectraBase Compound ID 8TkG0so2sNr
InChI InChI=1S/C14H11F6NO4S/c15-13(16,17)8-24-10-3-4-11(25-9-14(18,19)20)12(7-10)26(22,23)21-5-1-2-6-21/h1-7H,8-9H2
InChIKey FAUHRKQLXANKJZ-UHFFFAOYSA-N
Mol Weight 403.3 g/mol
Molecular Formula C14H11F6NO4S
Exact Mass 403.031298 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1r70csd9rrV
Name 1-{[2,5-bis(2,2,2-Trifluoroethoxy)phenyl]sulfonyl}pyrrole
Comments Computed using HOSE algorithm
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Exact Mass 403.031297986 u
Formula C14H11F6NO4S
InChI InChI=1S/C14H11F6NO4S/c15-13(16,17)8-24-10-3-4-11(25-9-14(18,19)20)12(7-10)26(22,23)21-5-1-2-6-21/h1-7H,8-9H2
InChIKey FAUHRKQLXANKJZ-UHFFFAOYSA-N
Molecular Weight 403.295 g/mol
SMILES C(F)(F)(F)COC1=C(C=C(OCC(F)(F)F)C=C1)S(=O)(=O)N1C=CC=C1