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3-PHENYL-5-TRICHLOROMETHYL-4,5-DIHYDRO-1H-1-PYRAZOLE-METHYLESTER

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-PHENYL-5-TRICHLOROMETHYL-4,5-DIHYDRO-1H-1-PYRAZOLE-METHYLESTER
SpectraBase Compound ID 3kjL5XNHgiD
InChI InChI=1S/C12H11Cl3N2O3/c1-20-10(18)17-11(19,12(13,14)15)7-9(16-17)8-5-3-2-4-6-8/h2-6,19H,7H2,1H3
InChIKey PSTMHBUTLJNADB-UHFFFAOYSA-N
Mol Weight 337.59 g/mol
Molecular Formula C12H11Cl3N2O3
Exact Mass 335.983525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62YiVUz9SOR
Name 5-Hydroxy-3-phenyl-5-trichloromethyl-4,5-dihydro-pyrazole-1-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11Cl3N2O3
InChI InChI=1S/C12H11Cl3N2O3/c1-20-10(18)17-11(19,12(13,14)15)7-9(16-17)8-5-3-2-4-6-8/h2-6,19H,7H2,1H3
InChIKey PSTMHBUTLJNADB-UHFFFAOYSA-N
Molecular Weight 337.590 g/mol
SMILES OC1(N(N=C(c2ccccc2)C1)C(=O)OC)C(Cl)(Cl)Cl
SPLASH splash10-00n0-3190000000-31a1fc3a7aad13eafb74
Source of Spectrum OL-17-411-2
Synonyms Methyl 5-(trichloromethyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carboxylate Methyl 5-hydroxy-3-phenyl-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate
Wiley ID 1612050