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2-[4-(2,4-Dichloro-phenoxy)-butyrylamino]-4,5-dimethoxy-benzoic acid

View entire compound with spectra: 2 NMR, and 2 MS (GC)

2-[4-(2,4-Dichloro-phenoxy)-butyrylamino]-4,5-dimethoxy-benzoic acid
SpectraBase Compound ID 7V04Yb87HTT
InChI InChI=1S/C19H19Cl2NO6/c1-26-16-9-12(19(24)25)14(10-17(16)27-2)22-18(23)4-3-7-28-15-6-5-11(20)8-13(15)21/h5-6,8-10H,3-4,7H2,1-2H3,(H,22,23)(H,24,25)
InChIKey PVDCMTQEWPOSLT-UHFFFAOYSA-N
Mol Weight 428.27 g/mol
Molecular Formula C19H19Cl2NO6
Exact Mass 427.058943 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B7aBTBq76NY
Name 2-[4-(2,4-Dichloro-phenoxy)-butyrylamino]-4,5-dimethoxy-benzoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.058942730 u
Formula C19H19Cl2NO6
InChI InChI=1S/C19H19Cl2NO6/c1-26-16-9-12(19(24)25)14(10-17(16)27-2)22-18(23)4-3-7-28-15-6-5-11(20)8-13(15)21/h5-6,8-10H,3-4,7H2,1-2H3,(H,22,23)(H,24,25)
InChIKey PVDCMTQEWPOSLT-UHFFFAOYSA-N
Molecular Weight 428.268 g/mol
SMILES C1(=C(C=C(C(=C1)OC)OC)NC(=O)CCCOC1=C(C=C(C=C1)Cl)Cl)C(=O)O