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1H-Pyrazole-1-acetic acid, 4-[[2-(3-chlorophenoxy)acetyl]amino]-3,5-dimethyl-, ethyl ester
SpectraBase Compound ID Hwhe12M6c8s
InChI InChI=1S/C17H20ClN3O4/c1-4-24-16(23)9-21-12(3)17(11(2)20-21)19-15(22)10-25-14-7-5-6-13(18)8-14/h5-8H,4,9-10H2,1-3H3,(H,19,22)
InChIKey OKJCZTSOHHLZSA-UHFFFAOYSA-N
Mol Weight 365.82 g/mol
Molecular Formula C17H20ClN3O4
Exact Mass 365.114234 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DH6JbZTjKy9
Name 1H-Pyrazole-1-acetic acid, 4-[[2-(3-chlorophenoxy)acetyl]amino]-3,5-dimethyl-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 365.114233832 u
Formula C17H20ClN3O4
InChI InChI=1S/C17H20ClN3O4/c1-4-24-16(23)9-21-12(3)17(11(2)20-21)19-15(22)10-25-14-7-5-6-13(18)8-14/h5-8H,4,9-10H2,1-3H3,(H,19,22)
InChIKey OKJCZTSOHHLZSA-UHFFFAOYSA-N
Molecular Weight 365.817 g/mol
SMILES CCOC(CN1N=C(C)C(=C1C)NC(=O)COC1=CC(Cl)=CC=C1)=O