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6'-Chloro-alpha,alpha,alpha-trifluoro-3,4,5-trimethoxy-m-benzotoluidide

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

6'-Chloro-alpha,alpha,alpha-trifluoro-3,4,5-trimethoxy-m-benzotoluidide
SpectraBase Compound ID DjEYtdX6FH0
InChI InChI=1S/C17H15ClF3NO4/c1-24-13-6-9(7-14(25-2)15(13)26-3)16(23)22-12-8-10(17(19,20)21)4-5-11(12)18/h4-8H,1-3H3,(H,22,23)
InChIKey MPNVVPNTXHUFJK-UHFFFAOYSA-N
Mol Weight 389.76 g/mol
Molecular Formula C17H15ClF3NO4
Exact Mass 389.06417 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ghTk8yvrf4
Name 6'-Chloro-alpha,alpha,alpha-trifluoro-3,4,5-trimethoxy-m-benzotoluidide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 389.064170152 u
Formula C17H15ClF3NO4
InChI InChI=1S/C17H15ClF3NO4/c1-24-13-6-9(7-14(25-2)15(13)26-3)16(23)22-12-8-10(17(19,20)21)4-5-11(12)18/h4-8H,1-3H3,(H,22,23)
InChIKey MPNVVPNTXHUFJK-UHFFFAOYSA-N
Molecular Weight 389.758 g/mol
SMILES N(C1=C(C=CC(=C1)C(F)(F)F)Cl)C(C=1C=C(C(=C(C1)OC)OC)OC)=O