1-{[5-Methyl-2-(trifluoromethyl)-3-furyl]carbonyl}-4-piperidinecarboxylic acid

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Systematic / IUPAC Name: 1-[5-Methyl-2-(trifluoromethyl)-3-furoyl]-4-piperidinecarboxylic acid

ID: Reference7002

Other Names: 1-{[5-Methyl-2-(trifluoromethyl)furan-3-yl]carbonyl}piperidine-4-carboxylic acid;
4-Piperidinecarboxylic acid, 1-{[5-methyl-2-(trifluoromethyl)-3-furanyl]carbonyl}-

Formula: C13H14F3NO4

Spectral Data

1-{[5-Methyl-2-(trifluoromethyl)-3-furyl]carbonyl}-4-piperidinecarboxylic 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 11/20/2017 2:18:46 PM
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Identificators

InChI InChI=1S/C13H14F3NO4/c1-7-6-9(10(21-7)13(14,15)16)11(18)17-4-2-8(3-5-17)12(19)20/h6,8H,2-5H2,1H3,(H,19,20)
InChI Key BWHATOJYDWARIE-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=C(O1)C(F)(F)F)C(=O)N2CCC(CC2)C(=O)O
CAS
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Other Names 1-{[5-Methyl-2-(trifluoromethyl)furan-3-yl]carbonyl}piperidine-4-carboxylic acid;
4-Piperidinecarboxylic acid, 1-{[5-methyl-2-(trifluoromethyl)-3-furanyl]carbonyl}-

In Other Databases

ChEMBL CHEMBL1733101
ChemSpider 2091837
PubChem 2813436