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1H-Pyrazole-3-carboxylic acid, 1-methyl-, 4-[[(4-iodophenyl)amino]carbonyl]phenyl ester
SpectraBase Compound ID GyUPrQ5qujx
InChI InChI=1S/C18H14IN3O3/c1-22-11-10-16(21-22)18(24)25-15-8-2-12(3-9-15)17(23)20-14-6-4-13(19)5-7-14/h2-11H,1H3,(H,20,23)
InChIKey CLYPWHGPRPFUAA-UHFFFAOYSA-N
Mol Weight 447.23 g/mol
Molecular Formula C18H14IN3O3
Exact Mass 447.007986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BpkBaKUWXqE
Name 1H-Pyrazole-3-carboxylic acid, 1-methyl-, 4-[[(4-iodophenyl)amino]carbonyl]phenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14IN3O3
InChI InChI=1S/C18H14IN3O3/c1-22-11-10-16(21-22)18(24)25-15-8-2-12(3-9-15)17(23)20-14-6-4-13(19)5-7-14/h2-11H,1H3,(H,20,23)
InChIKey CLYPWHGPRPFUAA-UHFFFAOYSA-N
Molecular Weight 447.232 g/mol
SMILES N(C(c1ccc(OC(c2n[n](C)cc2)=O)cc1)=O)c1ccc(I)cc1
SPLASH splash10-0a4i-8910100000-0a1a969d7b46cc4fe1c6
Source of Spectrum IY-1-4477-9
Synonyms 1-Methyl-3-pyrazolecarboxylic acid [4-[(4-iodoanilino)-oxomethyl]phenyl] ester [4-[(4-iodophenyl)carbamoyl]phenyl] 1-methylpyrazole-3-carboxylate
Wiley ID 1652762