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1H-Pyrazole-5-carboxylic acid, 1-methyl-3-[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]-, methyl ester
SpectraBase Compound ID Gr5g0pLMBcA
InChI InChI=1S/C14H12F3N3O4/c1-20-11(13(22)23-2)7-10(19-20)12(21)18-8-3-5-9(6-4-8)24-14(15,16)17/h3-7H,1-2H3,(H,18,21)
InChIKey JJNRHWWFWZSODT-UHFFFAOYSA-N
Mol Weight 343.26 g/mol
Molecular Formula C14H12F3N3O4
Exact Mass 343.07799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzspgPaYpLE
Name 1H-Pyrazole-5-carboxylic acid, 1-methyl-3-[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]-, methyl ester
Alternate Name(s) Methyl 1-methyl-3-{[4-(trifluoromethoxy)phenyl]carbamoyl}-1H-pyrazole-5-carboxylate 2-Methyl-5-[oxo-[4-(trifluoromethoxy)anilino]methyl]-3-pyrazolecarboxylic acid methyl ester Methyl 2-methyl-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazole-3-carboxylate Methyl 2-methyl-5-[[4-(trifluoromethyloxy)phenyl]carbamoyl]pyrazole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12F3N3O4
InChI InChI=1S/C14H12F3N3O4/c1-20-11(13(22)23-2)7-10(19-20)12(21)18-8-3-5-9(6-4-8)24-14(15,16)17/h3-7H,1-2H3,(H,18,21)
InChIKey JJNRHWWFWZSODT-UHFFFAOYSA-N
Molecular Weight 343.262 g/mol
SMILES N(C(c1cc([n](n1)C)C(=O)OC)=O)c1ccc(OC(F)(F)F)cc1
SPLASH splash10-014i-5904000000-8272ac401e8246b121f0
Source of Spectrum IY-2-4761-0
Wiley ID 1655593