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p-{{[5-oxo-3-(trifluoromethyl)-2-pyrazolin-4-ylidene]methyl}amino}benzoic acid, methyl ester
SpectraBase Compound ID CPGGf3wHKrr
InChI InChI=1S/C13H10F3N3O3/c1-22-12(21)7-2-4-8(5-3-7)17-6-9-10(13(14,15)16)18-19-11(9)20/h2-6,17H,1H3,(H,19,20)
InChIKey AUHGGGXNTZLCMH-UHFFFAOYSA-N
Mol Weight 313.24 g/mol
Molecular Formula C13H10F3N3O3
Exact Mass 313.067426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jh9JZUkJchk
Name p-{{[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 C13H10F3N3O3
InChI InChI=1S/C13H10F3N3O3/c1-22-12(21)7-2-4-8(5-3-7)17-6-9-10(13(14,15)16)18-19-11(9)20/h2-6,17H,1H3,(H,19,20)
InChIKey AUHGGGXNTZLCMH-UHFFFAOYSA-N
Melting Point 265-267C
Molecular Weight 313.24
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms BENZOIC ACID, P-///5-OXO-3-/TRIFLUOROMETHYL/-2-PYRAZOLIN-4-YLIDENE/METHYL/AMINO/-, METHYL ESTER