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1H-Pyrazole-1-acetic acid, 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3,5-dimethyl-, ethyl ester

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1H-Pyrazole-1-acetic acid, 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3,5-dimethyl-, ethyl ester
SpectraBase Compound ID ANLjw4z2fsr
InChI InChI=1S/C17H19Cl2N3O4/c1-4-25-16(24)8-22-11(3)17(10(2)21-22)20-15(23)9-26-14-6-5-12(18)7-13(14)19/h5-7H,4,8-9H2,1-3H3,(H,20,23)
InChIKey IYMDVDKBZRAXJM-UHFFFAOYSA-N
Mol Weight 400.26 g/mol
Molecular Formula C17H19Cl2N3O4
Exact Mass 399.075261 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9WTVtRbTfNz
Name 1H-Pyrazole-1-acetic acid, 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3,5-dimethyl-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.075261500 u
Formula C17H19Cl2N3O4
InChI InChI=1S/C17H19Cl2N3O4/c1-4-25-16(24)8-22-11(3)17(10(2)21-22)20-15(23)9-26-14-6-5-12(18)7-13(14)19/h5-7H,4,8-9H2,1-3H3,(H,20,23)
InChIKey IYMDVDKBZRAXJM-UHFFFAOYSA-N
Molecular Weight 400.262 g/mol
SMILES CCOC(CN1N=C(C)C(=C1C)NC(=O)COC=1C(=CC(Cl)=CC1)Cl)=O