Methyl 2-({[4-(trifluoromethyl)pyrimidin-2-yl]thio}methyl)benzoate

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Systematic / IUPAC Name: Methyl 2-({[4-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}methyl)benzoate

ID: Reference5186

Other Names: Benzoic acid, 2-({[4-(trifluoromethyl)-2-pyrimidinyl]thio}methyl)-, methyl ester ;
Methyl 2-({[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzoate

Formula: C14H11F3N2O2S

Spectral Data

Methyl 2-({[4-(trifluoromethyl)pyrimidin-2-yl]thio}methyl)benzoate 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 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/18/2016 11:21:02 AM
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Identificators

InChI InChI=1S/C14H11F3N2O2S/c1-21-12(20)10-5-3-2-4-9(10)8-22-13-18-7-6-11(19-13)14(15,16)17/h2-7H,8H2,1H3
InChI Key SQWSKYQBBTVLAB-UHFFFAOYSA-N
Canonical SMILES COC(=O)C1=CC=CC=C1CSC2=NC=CC(=N2)C(F)(F)F
CAS
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Other Names Benzoic acid, 2-({[4-(trifluoromethyl)-2-pyrimidinyl]thio}methyl)-, methyl ester ;
Methyl 2-({[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzoate

In Other Databases

ChemSpider 2087720
PubChem 2809296