5-[4-Bromo-3-(trifluoromethyl)anilino]-3,3-dimethyl-5-oxopentanoic acid

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Systematic / IUPAC Name: 5-{[4-Bromo-3-(trifluoromethyl)phenyl]amino}-3,3-dimethyl-5-oxopentanoic acid

ID: Reference8672

Other Names: Pentanoic acid, 5-[[4-bromo-3-(trifluoromethyl)phenyl]amino]-3,3-dimethyl-5-oxo-

Formula: C14H15BrF3NO3

Spectral Data

5-[4-Bromo-3-(trifluoromethyl)anilino]-3,3-dimethyl-5-oxopentanoic 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 220
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/6/2019 1:59:45 PM
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Identificators

InChI InChI=1S/C14H15BrF3NO3/c1-13(2,7-12(21)22)6-11(20)19-8-3-4-10(15)9(5-8)14(16,17)18/h3-5H,6-7H2,1-2H3,(H,19,20)(H,21,22)
InChI Key PQENNNKUMBGKGV-UHFFFAOYSA-N
Canonical SMILES CC(C)(CC(=O)NC1=CC(=C(C=C1)Br)C(F)(F)F)CC(=O)O
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Other Names Pentanoic acid, 5-[[4-bromo-3-(trifluoromethyl)phenyl]amino]-3,3-dimethyl-5-oxo-

In Other Databases

PubChem 2810417
ChemSpider 2088833