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2-(2,4,6-Trichlorophenoxy)-3',4',5'-trimethoxyacetanilide

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

2-(2,4,6-Trichlorophenoxy)-3',4',5'-trimethoxyacetanilide
SpectraBase Compound ID 5NPNoPZ88K8
InChI InChI=1S/C17H16Cl3NO5/c1-23-14-4-9(5-15(24-2)17(14)25-3)21-16(22)8-26-13-7-11(19)10(18)6-12(13)20/h4-7H,8H2,1-3H3,(H,21,22)
InChIKey NUWRFUBLCXETJC-UHFFFAOYSA-N
Mol Weight 420.68 g/mol
Molecular Formula C17H16Cl3NO5
Exact Mass 419.009406 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B1dnui2polo
Name 2-(2,4,6-Trichlorophenoxy)-3',4',5'-trimethoxyacetanilide
Comments Computed using HOSE algorithm
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Exact Mass 419.009405714 u
Formula C17H16Cl3NO5
InChI InChI=1S/C17H16Cl3NO5/c1-23-14-4-9(5-15(24-2)17(14)25-3)21-16(22)8-26-13-7-11(19)10(18)6-12(13)20/h4-7H,8H2,1-3H3,(H,21,22)
InChIKey NUWRFUBLCXETJC-UHFFFAOYSA-N
Molecular Weight 420.676 g/mol
SMILES N(C1=CC(=C(C(=C1)OC)OC)OC)C(COC=1C(=CC(=C(C1)Cl)Cl)Cl)=O