2-[1-(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)cyclohexyl]acetic acid

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Systematic / IUPAC Name: [1-(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)cyclohexyl]acetic acid

ID: Reference4508

Other Names: Cyclohexaneacetic acid, 1-[2-oxo-2-({[3-(trifluoromethyl)phenyl]methyl}amino)ethyl]-

Formula: C18H22F3NO3

Spectral Data

2-[1-(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)cyclohexyl]acetic 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 224
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/11/2016 1:19:13 PM
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Identificators

InChI InChI=1S/C18H22F3NO3/c19-18(20,21)14-6-4-5-13(9-14)12-22-15(23)10-17(11-16(24)25)7-2-1-3-8-17/h4-6,9H,1-3,7-8,10-12H2,(H,22,23)(H,24,25)
InChI Key SCEMBCXUGREEPL-UHFFFAOYSA-N
Canonical SMILES C1CCC(CC1)(CC(=O)NCC2=CC(=CC=C2)C(F)(F)F)CC(=O)O
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Other Names Cyclohexaneacetic acid, 1-[2-oxo-2-({[3-(trifluoromethyl)phenyl]methyl}amino)ethyl]-

In Other Databases

ChemSpider 2019895
PubChem 2738270