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p-{{[1-METHYL-5-OXO-3-(TRIFLUOROMETHYL)-2-PYRAZOLIN-4-YLIDENE]METHYL}AMINO}BENZOIC ACID, METHYL ESTER
SpectraBase Compound ID FLTuSg8nh9r
InChI InChI=1S/C14H12F3N3O3/c1-20-12(21)10(11(19-20)14(15,16)17)7-18-9-5-3-8(4-6-9)13(22)23-2/h3-7,18H,1-2H3
InChIKey JYOOZSVPDZQXAS-UHFFFAOYSA-N
Mol Weight 327.26 g/mol
Molecular Formula C14H12F3N3O3
Exact Mass 327.083076 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9oYfbrlMtY0
Name p-{{[1-METHYL-5-OXO-3-(TRIFLUOROMETHYL)-2-PYRAZOLIN-4-YLIDENE]METHYL}AMINO}BENZOIC ACID, METHYL ESTER
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12F3N3O3
InChI InChI=1S/C14H12F3N3O3/c1-20-12(21)10(11(19-20)14(15,16)17)7-18-9-5-3-8(4-6-9)13(22)23-2/h3-7,18H,1-2H3
InChIKey JYOOZSVPDZQXAS-UHFFFAOYSA-N
Melting Point 213-215C
Molecular Weight 327.27
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms BENZOIC ACID, P-///1-METHYL-5-OXO- 3-/TRIFLUOROMETHYL/-2-PYRAZOLIN-4-YLIDENE/METHYL/AMINO/-, METHYL ESTER