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2,4-DICHLORO-6-{N-[2-(2-NITRO-alpha,alpha,alpha-TRIFLUORO-p-TOLUIDINO)ETHYL]FORMIMIDOYL}PHENOL
SpectraBase Compound ID 3XsbKnu4SyT
InChI InChI=1S/C16H12Cl2F3N3O3/c17-11-5-9(15(25)12(18)7-11)8-22-3-4-23-13-2-1-10(16(19,20)21)6-14(13)24(26)27/h1-2,5-8,23,25H,3-4H2/b22-8+
InChIKey FVKGHHOBSUPQGH-GZIVZEMBSA-N
Mol Weight 422.19 g/mol
Molecular Formula C16H12Cl2F3N3O3
Exact Mass 421.020781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HZQGtx8iUVp
Name 2,4-Dichloro-6-{N-[2-(2-nitro-A,A,A-trifluoro-p-toluidino)ethyl]formimidoyl}phenol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.020781144 u
Formula C16H12Cl2F3N3O3
InChI InChI=1S/C16H12Cl2F3N3O3/c17-11-5-9(15(25)12(18)7-11)8-22-3-4-23-13-2-1-10(16(19,20)21)6-14(13)24(26)27/h1-2,5-8,23,25H,3-4H2/b22-8+
InChIKey FVKGHHOBSUPQGH-GZIVZEMBSA-N
Molecular Weight 422.191 g/mol
SMILES N(C=1C=CC(=CC1N(=O)=O)C(F)(F)F)CC\N=C\C1=C(C(=CC(=C1)Cl)Cl)O