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4-Chloro-2-(trifluoromethyl)carbanilic acid, 6-bromo-4-chloro-o-tolyl ester

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

4-Chloro-2-(trifluoromethyl)carbanilic acid, 6-bromo-4-chloro-o-tolyl ester
SpectraBase Compound ID 60zslOjEBHY
InChI InChI=1S/C15H9BrCl2F3NO2/c1-7-4-9(18)6-11(16)13(7)24-14(23)22-12-3-2-8(17)5-10(12)15(19,20)21/h2-6H,1H3,(H,22,23)
InChIKey MZXDNVNBLBZRCG-UHFFFAOYSA-N
Mol Weight 443.05 g/mol
Molecular Formula C15H9BrCl2F3NO2
Exact Mass 440.914581 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GtsIGFgCf8i
Name 4-Chloro-2-(trifluoromethyl)carbanilic acid, 6-bromo-4-chloro-o-tolyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.914581421 u
Formula C15H9BrCl2F3NO2
InChI InChI=1S/C15H9BrCl2F3NO2/c1-7-4-9(18)6-11(16)13(7)24-14(23)22-12-3-2-8(17)5-10(12)15(19,20)21/h2-6H,1H3,(H,22,23)
InChIKey MZXDNVNBLBZRCG-UHFFFAOYSA-N
Molecular Weight 443.047 g/mol
SMILES C(F)(F)(F)C=1C(=CC=C(C1)Cl)NC(OC=1C(=CC(=CC1Br)Cl)C)=O