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2-{N-{o-(2,6-DINITRO-alpha,alpha,alpha-TRIFLUORO-p-TOLUIDINO)PHENYL]FORMIMIDOYL]-6-METHOXYPHENOL

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 UV-Vis

2-{N-{o-(2,6-DINITRO-alpha,alpha,alpha-TRIFLUORO-p-TOLUIDINO)PHENYL]FORMIMIDOYL]-6-METHOXYPHENOL
SpectraBase Compound ID 7aSsApAf1b3
InChI InChI=1S/C21H15F3N4O6/c1-34-18-8-4-5-12(20(18)29)11-25-14-6-2-3-7-15(14)26-19-16(27(30)31)9-13(21(22,23)24)10-17(19)28(32)33/h2-11,26,29H,1H3/b25-11+
InChIKey BAYJBMUBDOEPDJ-OPEKNORGSA-N
Mol Weight 476.37 g/mol
Molecular Formula C21H15F3N4O6
Exact Mass 476.094369 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GDtDRj88NhV
Name 2-{N-[o-(2,6-Dinitro-A,A,A-trifluoro-p-toluidino)phenyl]formimidoyl}-6-methoxyphenol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.094368702 u
Formula C21H15F3N4O6
InChI InChI=1S/C21H15F3N4O6/c1-34-18-8-4-5-12(20(18)29)11-25-14-6-2-3-7-15(14)26-19-16(27(30)31)9-13(21(22,23)24)10-17(19)28(32)33/h2-11,26,29H,1H3/b25-11+
InChIKey BAYJBMUBDOEPDJ-OPEKNORGSA-N
Molecular Weight 476.368 g/mol
SMILES N(C=1C=CC=CC1\N=C\C1=CC=CC(=C1O)OC)C=1C(=CC(=CC1N(=O)=O)C(F)(F)F)N(=O)=O