Methyl 2-[(4-chlorophenyl)thio]-4-(trifluoromethyl)pyrimidine-5-carboxylate

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Systematic / IUPAC Name: Methyl 2-[(4-chlorophenyl)sulfanyl]-4-(trifluoromethyl)-5-pyrimidinecarboxylate

ID: Reference4611

Other Names: 5-Pyrimidinecarboxylic acid, 2-[(4-chlorophenyl)thio]-4-(trifluoromethyl)-, methyl ester

Formula: C13H8ClF3N2O2S

Spectral Data

Methyl 2-[(4-chlorophenyl)thio]-4-(trifluoromethyl)pyrimidine-5-carboxylate 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 1
No. of Spectra 128
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/25/2016 7:07:12 AM
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Identificators

InChI InChI=1S/C13H8ClF3N2O2S/c1-21-11(20)9-6-18-12(19-10(9)13(15,16)17)22-8-4-2-7(14)3-5-8/h2-6H,1H3
InChI Key QSMLICSASCYDRQ-UHFFFAOYSA-N
Canonical SMILES COC(=O)C1=CN=C(N=C1C(F)(F)F)SC2=CC=C(C=C2)Cl
CAS
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Other Names 5-Pyrimidinecarboxylic acid, 2-[(4-chlorophenyl)thio]-4-(trifluoromethyl)-, methyl ester

In Other Databases

ChemSpider 2086623
PubChem 2808180