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3-N-BUTYL-5-TRICHLOROMETHYL-4,5-DIHYDRO-1H-1-PYRAZOLE-METHYLESTER

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

3-N-BUTYL-5-TRICHLOROMETHYL-4,5-DIHYDRO-1H-1-PYRAZOLE-METHYLESTER
SpectraBase Compound ID 4qzffgpdskq
InChI InChI=1S/C10H15Cl3N2O3/c1-3-4-5-7-6-9(17,10(11,12)13)15(14-7)8(16)18-2/h17H,3-6H2,1-2H3
InChIKey WSVPNEPEQVVOMX-UHFFFAOYSA-N
Mol Weight 317.6 g/mol
Molecular Formula C10H15Cl3N2O3
Exact Mass 316.014825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ueRKsbnKip
Name 3-Butyl-5-hydroxy-5-trichloromethyl-4,5-dihydro-pyrazole-1-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H15Cl3N2O3
InChI InChI=1S/C10H15Cl3N2O3/c1-3-4-5-7-6-9(17,10(11,12)13)15(14-7)8(16)18-2/h17H,3-6H2,1-2H3
InChIKey WSVPNEPEQVVOMX-UHFFFAOYSA-N
Molecular Weight 317.600 g/mol
SMILES OC1(N(N=C(CCCC)C1)C(=O)OC)C(Cl)(Cl)Cl
SPLASH splash10-052b-4900000000-b140dd010e9494db4a49
Source of Spectrum OL-17-410-2
Synonyms Methyl 3-butyl-5-hydroxy-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate Methyl 5-(trichloromethyl)-3-butyl-4,5-dihydro-1H-pyrazole-1-carboxylate
Wiley ID 1612054