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Pyrazole-3-carboxylic acid, 1-(3-chloro-2-cyanophenyl)-5-methyl-, methyl ester
SpectraBase Compound ID 6Vi8ZsQWygB
InChI InChI=1S/C13H10ClN3O2/c1-8-6-11(13(18)19-2)16-17(8)12-5-3-4-10(14)9(12)7-15/h3-6H,1-2H3
InChIKey CLZJOJFOLQQNIT-UHFFFAOYSA-N
Mol Weight 275.69 g/mol
Molecular Formula C13H10ClN3O2
Exact Mass 275.046154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 87QLKN1js1x
Name Pyrazole-3-carboxylic acid, 1-(3-chloro-2-cyanophenyl)-5-methyl-, methyl ester
Alternate Name(s) 1-(3-Chloro-2-cyano-phenyl)-5-methyl-pyrazole-3-carboxylic acid methyl ester 1-(3-Chloro-2-cyanophenyl)-5-methyl-3-pyrazolecarboxylic acid methyl ester Methyl 1-(3-chloranyl-2-cyano-phenyl)-5-methyl-pyrazole-3-carboxylate Methyl 1-(3-chloro-2-cyano-phenyl)-5-methyl-pyrazole-3-carboxylate Methyl 1-(3-chloro-2-cyanophenyl)-5-methyl-1H-pyrazole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10ClN3O2
InChI InChI=1S/C13H10ClN3O2/c1-8-6-11(13(18)19-2)16-17(8)12-5-3-4-10(14)9(12)7-15/h3-6H,1-2H3
InChIKey CLZJOJFOLQQNIT-UHFFFAOYSA-N
Molecular Weight 275.695 g/mol
SMILES COC(c1n[n](c(c1)C)-c1c(C#N)c(Cl)ccc1)=O
SPLASH splash10-00mx-9670000000-a34b4fc0a9ca9d84d629
Source of Spectrum AD-0-2532-0
Wiley ID 1431469