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3-[3,5-bis(2,2,2-trifluoroethoxy)anilino]-3H-2-benzofuran-1-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-[3,5-bis(2,2,2-trifluoroethoxy)anilino]-3H-2-benzofuran-1-one
SpectraBase Compound ID EVO8RChsVLI
InChI InChI=1S/C18H13F6NO4/c19-17(20,21)8-27-11-5-10(6-12(7-11)28-9-18(22,23)24)25-15-13-3-1-2-4-14(13)16(26)29-15/h1-7,15,25H,8-9H2
InChIKey OIKOJRJKWBKXCS-UHFFFAOYSA-N
Mol Weight 421.3 g/mol
Molecular Formula C18H13F6NO4
Exact Mass 421.074877 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3eFWdUVotfN
Name 3-[3,5-bis(2,2,2-Trifluoroethoxy)anilino]-3H-2-benzofuran-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.074876877 u
Formula C18H13F6NO4
InChI InChI=1S/C18H13F6NO4/c19-17(20,21)8-27-11-5-10(6-12(7-11)28-9-18(22,23)24)25-15-13-3-1-2-4-14(13)16(26)29-15/h1-7,15,25H,8-9H2
InChIKey OIKOJRJKWBKXCS-UHFFFAOYSA-N
Molecular Weight 421.295 g/mol
SMILES C1=CC=CC=2C(OC(C12)=O)NC=1C=C(C=C(OCC(F)(F)F)C1)OCC(F)(F)F