John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=12sVahXOT5b SpectraBase Spectrum ID=8oMqMYeoXEe

(accessed ).
5-CHLORO-1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXALDEHYDE, O-(alpha,alpha,alpha-TRIFLUORO-m-TOLUOYL)OXIME
SpectraBase Compound ID 12sVahXOT5b
InChI InChI=1S/C14H8ClF6N3O2/c1-24-11(15)9(10(23-24)14(19,20)21)6-22-26-12(25)7-3-2-4-8(5-7)13(16,17)18/h2-6H,1H3
InChIKey FDBAVVCBTMYEBF-UHFFFAOYSA-N
Mol Weight 399.68 g/mol
Molecular Formula C14H8ClF6N3O2
Exact Mass 399.020924 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8oMqMYeoXEe
Name 5-CHLORO-1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXALDEHYDE, O-(alpha,alpha,alpha-TRIFLUORO-m-TOLUOYL)OXIME
Source of Sample Bionet Research Ltd., Cornwall, England
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Formula C14H8ClF6N3O2
InChI InChI=1S/C14H8ClF6N3O2/c1-24-11(15)9(10(23-24)14(19,20)21)6-22-26-12(25)7-3-2-4-8(5-7)13(16,17)18/h2-6H,1H3
InChIKey FDBAVVCBTMYEBF-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 130-132C
Molecular Weight 399.68
Solvent CDCl3; Reference=TMS; Temperature 297K
SpectraBase Batch ID 6xCvdrVWYlG