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1H-Pyrazole-3-carboxylic acid, 1-methyl-, 4-[[(3-chloro-4-fluorophenyl)amino]carbonyl]phenyl ester
SpectraBase Compound ID 168yG3xNrex
InChI InChI=1S/C18H13ClFN3O3/c1-23-9-8-16(22-23)18(25)26-13-5-2-11(3-6-13)17(24)21-12-4-7-15(20)14(19)10-12/h2-10H,1H3,(H,21,24)
InChIKey PKZAUOBYRHXJJU-UHFFFAOYSA-N
Mol Weight 373.77 g/mol
Molecular Formula C18H13ClFN3O3
Exact Mass 373.062947 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HcPPkvmd6dw
Name 1H-Pyrazole-3-carboxylic acid, 1-methyl-, 4-[[(3-chloro-4-fluorophenyl)amino]carbonyl]phenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13ClFN3O3
InChI InChI=1S/C18H13ClFN3O3/c1-23-9-8-16(22-23)18(25)26-13-5-2-11(3-6-13)17(24)21-12-4-7-15(20)14(19)10-12/h2-10H,1H3,(H,21,24)
InChIKey PKZAUOBYRHXJJU-UHFFFAOYSA-N
Molecular Weight 373.771 g/mol
SMILES N(C(c1ccc(OC(c2n[n](C)cc2)=O)cc1)=O)c1cc(Cl)c(cc1)F
SPLASH splash10-0a4i-4910000000-a46247f3a635fd87d336
Synonyms 1-Methyl-3-pyrazolecarboxylic acid [4-[(3-chloro-4-fluoroanilino)-oxomethyl]phenyl] ester [4-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl] 1-methylpyrazole-3-carboxylate [4-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl] 1-methylpyrazole-3-carboxylate [4-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl] 1-methylpyrazole-3-carboxylate
Wiley ID 1448324