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1H-Pyrazole-4-carboxylic acid, 5-amino-1-(2,4,6-trichlorophenyl)-, propyl ester

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

1H-Pyrazole-4-carboxylic acid, 5-amino-1-(2,4,6-trichlorophenyl)-, propyl ester
SpectraBase Compound ID JvMGbzDBy1P
InChI InChI=1S/C13H12Cl3N3O2/c1-2-3-21-13(20)8-6-18-19(12(8)17)11-9(15)4-7(14)5-10(11)16/h4-6H,2-3,17H2,1H3
InChIKey YMNLPMLBVPADCI-UHFFFAOYSA-N
Mol Weight 348.62 g/mol
Molecular Formula C13H12Cl3N3O2
Exact Mass 346.99951 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4d3WvvYmXyV
Name 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(2,4,6-trichlorophenyl)-, propyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.999509736 u
Formula C13H12Cl3N3O2
InChI InChI=1S/C13H12Cl3N3O2/c1-2-3-21-13(20)8-6-18-19(12(8)17)11-9(15)4-7(14)5-10(11)16/h4-6H,2-3,17H2,1H3
InChIKey YMNLPMLBVPADCI-UHFFFAOYSA-N
Molecular Weight 348.617 g/mol
SMILES NC=1N(C2=C(C=C(C=C2Cl)Cl)Cl)N=CC1C(=O)OCCC