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1-ETHYL-3-METHYL-4-(alpha,alpha,alpha-TRIFLUORO-p-TOLUAMIDO)PYRAZOLE-5-CARBOXYLIC ACID, METHYL ESTER

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1-ETHYL-3-METHYL-4-(alpha,alpha,alpha-TRIFLUORO-p-TOLUAMIDO)PYRAZOLE-5-CARBOXYLIC ACID, METHYL ESTER
SpectraBase Compound ID 6mRXXS7RW3E
InChI InChI=1S/C16H16F3N3O3/c1-4-22-13(15(24)25-3)12(9(2)21-22)20-14(23)10-5-7-11(8-6-10)16(17,18)19/h5-8H,4H2,1-3H3,(H,20,23)
InChIKey NFSSBRHAHYAHTF-UHFFFAOYSA-N
Mol Weight 355.32 g/mol
Molecular Formula C16H16F3N3O3
Exact Mass 355.114376 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Kbi9DnEeMa
Name 1-ETHYL-3-METHYL-4-(alpha,alpha,alpha-TRIFLUORO-p-TOLUAMIDO)PYRAZOLE-5-CARBOXYLIC ACID, METHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16F3N3O3
InChI InChI=1S/C16H16F3N3O3/c1-4-22-13(15(24)25-3)12(9(2)21-22)20-14(23)10-5-7-11(8-6-10)16(17,18)19/h5-8H,4H2,1-3H3,(H,20,23)
InChIKey NFSSBRHAHYAHTF-UHFFFAOYSA-N
Melting Point 134-136C
Molecular Weight 355.32
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms PYRAZOLE-5-CARBOXYLIC ACID, 1-ETHYL-3-METHYL-4-(alpha,alpha,alpha-TRIFLUORO-p-TOLUAMIDO)-, METHYL ESTER