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3-(4'-NITROPHENYL)-5-TRICHLOROMETHYL-4,5-DIHYDRO-1H-1-PYRAZOLE-METHYLESTER

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

3-(4'-NITROPHENYL)-5-TRICHLOROMETHYL-4,5-DIHYDRO-1H-1-PYRAZOLE-METHYLESTER
SpectraBase Compound ID BMGfiT87uaD
InChI InChI=1S/C12H10Cl3N3O5/c1-23-10(19)17-11(20,12(13,14)15)6-9(16-17)7-2-4-8(5-3-7)18(21)22/h2-5,20H,6H2,1H3
InChIKey AJHASQDJHUDOBS-UHFFFAOYSA-N
Mol Weight 382.59 g/mol
Molecular Formula C12H10Cl3N3O5
Exact Mass 380.968604 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8b0Jm5QyYBW
Name 5-Hydroxy-3-(4-nitrophenyl)-5-(trichloromethyl)-2-pyrazoline-1-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10Cl3N3O5
InChI InChI=1S/C12H10Cl3N3O5/c1-23-10(19)17-11(20,12(13,14)15)6-9(16-17)7-2-4-8(5-3-7)18(21)22/h2-5,20H,6H2,1H3
InChIKey AJHASQDJHUDOBS-UHFFFAOYSA-N
Molecular Weight 382.587 g/mol
SMILES OC1(N(N=C(c2ccc(N(=O)=O)cc2)C1)C(=O)OC)C(Cl)(Cl)Cl
SPLASH splash10-07vi-2090000000-ee0de0f38f88d323029c
Source of Spectrum OL-17-411-2
Synonyms 5-Hydroxy-3-(4-nitrophenyl)-5-(trichloromethyl)-4H-pyrazole-1-carboxylic acid methyl ester Methyl 3-(4-nitrophenyl)-5-oxidanyl-5-(trichloromethyl)-4H-pyrazole-1-carboxylate Methyl 5-hydroxy-3-(4-nitrophenyl)-5-(trichloromethyl)-4H-pyrazole-1-carboxylate
Wiley ID 1612049