Ethyl 2-(4-toluidino)-4-(trifluoromethyl)-5-pyrimidinecarboxylate

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Systematic / IUPAC Name: Ethyl 2-[(4-methylphenyl)amino]-4-(trifluoromethyl)-5-pyrimidinecarboxylate

ID: Reference5634

Other Names: 5-Pyrimidinecarboxylic acid, 2-[(4-methylphenyl)amino]-4-(trifluoromethyl)-, ethyl ester

Formula: C15H14F3N3O2

Spectral Data

Ethyl 2-(4-toluidino)-4-(trifluoromethyl)-5-pyrimidinecarboxylate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 226
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/19/2016 8:25:22 AM
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Identificators

InChI InChI=1S/C15H14F3N3O2/c1-3-23-13(22)11-8-19-14(21-12(11)15(16,17)18)20-10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,19,20,21)
InChI Key UDQQKIFPZQGLAY-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)C1=CN=C(N=C1C(F)(F)F)NC2=CC=C(C=C2)C
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Other Names 5-Pyrimidinecarboxylic acid, 2-[(4-methylphenyl)amino]-4-(trifluoromethyl)-, ethyl ester

In Other Databases

PubChem 2808648
ChemSpider 2087081