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Methyl 1-(4-Chlorophenyl)-1H-1,2,4-triazole-3-carboxylate

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Methyl 1-(4-Chlorophenyl)-1H-1,2,4-triazole-3-carboxylate
SpectraBase Compound ID 4CuQkv7akiY
InChI InChI=1S/C10H8ClN3O2/c1-16-10(15)9-12-6-14(13-9)8-4-2-7(11)3-5-8/h2-6H,1H3
InChIKey RNUZXNJICZHTNP-UHFFFAOYSA-N
Mol Weight 237.65 g/mol
Molecular Formula C10H8ClN3O2
Exact Mass 237.030504 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 97kzNgPnzU1
Name 1H-1,2,4-Triazole-3-carboxylic acid, 1-(4-chlorophenyl)-, methyl ester; 1H-1,2,4-triazole-3-carboxylic acid, 1-(p-chlorophenyl)-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 237.030504208 u
Formula C10H8ClN3O2
InChI InChI=1S/C10H8ClN3O2/c1-16-10(15)9-12-6-14(13-9)8-4-2-7(11)3-5-8/h2-6H,1H3
InChIKey RNUZXNJICZHTNP-UHFFFAOYSA-N
SMILES C1(=CC=C(C=C1)Cl)N1N=C(N=C1)C(OC)=O