DICENTRINE-TRIFLUOROACETIC-ACID
Compound with spectra: 1 NMR
| SpectraBase Compound ID | FAJXi4EdacD |
|---|---|
| InChI | InChI=1S/C20H21NO4.C2HF3O2/c1-21-5-4-11-7-17-20(25-10-24-17)19-13-9-16(23-3)15(22-2)8-12(13)6-14(21)18(11)19;3-2(4,5)1(6)7/h7-9,14H,4-6,10H2,1-3H3;(H,6,7)/t14-;/m0./s1 |
| InChIKey | YKBDJUOOOZIILW-UQKRIMTDSA-N |
| Mol Weight | 453.41 g/mol |
| Molecular Formula | C22H22F3NO6 |
| Exact Mass | 453.139922 g/mol |
| Parent InChIKey | YJWBWQWUHVXPNC-AWEZNQCLSA-N |
| Enantiomer InChIKey | YKBDJUOOOZIILW-PFEQFJNWSA-N |
| Racemate InChIKey | YKBDJUOOOZIILW-UHFFFAOYSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|
| Title | Journal or Book | Year |
|---|---|---|
| Metabolism of Dicentrine: Identification of the Phase I and Phase II Metabolites in Miniature Pig Urine | Drug Metabolism and Disposition | 2010 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.