4-[2-(Methylthio)-3-(trifluoromethyl)anilino]-4-oxobut-2-enoic acid

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Systematic / IUPAC Name: (2E)-4-{[2-(Methylsulfanyl)-3-(trifluoromethyl)phenyl]amino}-4-oxo-2-butenoic acid

ID: Reference4143

Other Names: 2-Butenoic acid, 4-{[2-(methylthio)-3-(trifluoromethyl)phenyl]amino}-4-oxo-, (2E)-

Formula: C12H10F3NO3S

Spectral Data

4-[2-(Methylthio)-3-(trifluoromethyl)anilino]-4-oxobut-2-enoic acid 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 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/10/2016 12:35:36 PM
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Identificators

InChI InChI=1S/C12H10F3NO3S/c1-20-11-7(12(13,14)15)3-2-4-8(11)16-9(17)5-6-10(18)19/h2-6H,1H3,(H,16,17)(H,18,19)/b6-5+
InChI Key KSBYPTHNIMAQQK-AATRIKPKSA-N
Canonical SMILES CSC1=C(C=CC=C1NC(=O)C=CC(=O)O)C(F)(F)F
CAS
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Other Names 2-Butenoic acid, 4-{[2-(methylthio)-3-(trifluoromethyl)phenyl]amino}-4-oxo-, (2E)-

In Other Databases

ChemSpider 20172167
PubChem 5703360; 5929881