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1-Carboxymethyl-5-trifluoromethyl-5-hydroxy-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID 9OiJ6s6NpQ3
InChI InChI=1S/C12H10ClF3N2O3/c1-21-10(19)18-11(20,12(14,15)16)6-9(17-18)7-2-4-8(13)5-3-7/h2-5,20H,6H2,1H3
InChIKey XKDAVAMQEZAHEC-UHFFFAOYSA-N
Mol Weight 322.67 g/mol
Molecular Formula C12H10ClF3N2O3
Exact Mass 322.033204 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KhdVFT0nQ9P
Name 1-Carboxymethyl-5-trifluoromethyl-5-hydroxy-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
Alternate Name(s) 3-(4-Chloro-phenyl)-5-hydroxy-5-trifluoromethyl-4,5-dihydro-pyrazole-1-carboxylic acid methyl ester 3-(4-Chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid methyl ester Methyl 3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Methyl 3-(4-chlorophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10ClF3N2O3
InChI InChI=1S/C12H10ClF3N2O3/c1-21-10(19)18-11(20,12(14,15)16)6-9(17-18)7-2-4-8(13)5-3-7/h2-5,20H,6H2,1H3
InChIKey XKDAVAMQEZAHEC-UHFFFAOYSA-N
Molecular Weight 322.671 g/mol
SMILES OC1(N(N=C(c2ccc(cc2)Cl)C1)C(=O)OC)C(F)(F)F
SPLASH splash10-0fk9-0398000000-8bf86e5550fe69ad788b
Source of Spectrum Y-47-307-3j
Wiley ID 1667085