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

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1H-Pyrazole-1-acetic acid, 4-[[2-(4-iodophenoxy)-1-oxopropyl]amino]-3,5-dimethyl-, ethyl ester
SpectraBase Compound ID Gf6pWUwWeyr
InChI InChI=1S/C18H22IN3O4/c1-5-25-16(23)10-22-12(3)17(11(2)21-22)20-18(24)13(4)26-15-8-6-14(19)7-9-15/h6-9,13H,5,10H2,1-4H3,(H,20,24)
InChIKey PCGVUPXMUOMWBN-UHFFFAOYSA-N
Mol Weight 471.3 g/mol
Molecular Formula C18H22IN3O4
Exact Mass 471.065501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FzlGEiau2Si
Name 1H-Pyrazole-1-acetic acid, 4-[[2-(4-iodophenoxy)-1-oxopropyl]amino]-3,5-dimethyl-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 471.065501196 u
Formula C18H22IN3O4
InChI InChI=1S/C18H22IN3O4/c1-5-25-16(23)10-22-12(3)17(11(2)21-22)20-18(24)13(4)26-15-8-6-14(19)7-9-15/h6-9,13H,5,10H2,1-4H3,(H,20,24)
InChIKey PCGVUPXMUOMWBN-UHFFFAOYSA-N
Molecular Weight 471.295 g/mol
SMILES CCOC(CN1N=C(C)C(=C1C)NC(C(OC1=CC=C(C=C1)I)C)=O)=O