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

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

5-TRICHLOROMETHYL-4,5-DIHYDRO-1H-1-PYRAZOLE-METHYLESTER
SpectraBase Compound ID 3dz0Q2RlXIF
InChI InChI=1S/C6H7Cl3N2O3/c1-14-4(12)11-5(13,2-3-10-11)6(7,8)9/h3,13H,2H2,1H3
InChIKey FVILZFJOMFYQQX-UHFFFAOYSA-N
Mol Weight 261.49 g/mol
Molecular Formula C6H7Cl3N2O3
Exact Mass 259.952225 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ci1sPe9JJHr
Name Methyl 5-(trichloromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazole-1-carboxylate
Alternate Name(s) Methyl 5-hydroxy-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H7Cl3N2O3
InChI InChI=1S/C6H7Cl3N2O3/c1-14-4(12)11-5(13,2-3-10-11)6(7,8)9/h3,13H,2H2,1H3
InChIKey FVILZFJOMFYQQX-UHFFFAOYSA-N
Molecular Weight 261.492 g/mol
SMILES OC1(N(N=CC1)C(=O)OC)C(Cl)(Cl)Cl
SPLASH splash10-01ox-1900000000-41820ca7bc7b17872aa4
Source of Spectrum OL-17-410-2
Wiley ID 1611995