Methyl 2-cyano-3-{1-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}acrylate

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Systematic / IUPAC Name: Methyl (2E)-2-cyano-3-{1-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}acrylate

ID: Reference5244

Other Names: 2-Propenoic acid, 2-cyano-3-{1-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}-, methyl ester, (2E)- ;
Methyl (E)-2-cyano-3-{1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl}prop-2-enoate

Formula: C16H11F3N2O2

Spectral Data

Methyl 2-cyano-3-{1-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}acrylate 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 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/22/2016 12:13:33 PM
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Identificators

InChI InChI=1S/C16H11F3N2O2/c1-23-15(22)11(10-20)9-14-3-2-8-21(14)13-6-4-12(5-7-13)16(17,18)19/h2-9H,1H3/b11-9+
InChI Key TVKWBRQNNIBIST-PKNBQFBNSA-N
Canonical SMILES COC(=O)C(=CC1=CC=CN1C2=CC=C(C=C2)C(F)(F)F)C#N
CAS
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Other Names 2-Propenoic acid, 2-cyano-3-{1-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}-, methyl ester, (2E)- ;
Methyl (E)-2-cyano-3-{1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl}prop-2-enoate

In Other Databases

PubChem 5703640
ChemSpider 4643732