| SpectraBase Compound ID | LGiMVohmf1F |
|---|---|
| InChI | InChI=1S/C22H37NO2.C2HF3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23;3-2(4,5)1(6)7/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21,23H2,1H3;(H,6,7)/b7-6-,10-9-,13-12-,16-15-; |
| InChIKey | APQWCQIPZHJFAU-XVSDJDOKSA-N |
| Mol Weight | 461.6 g/mol |
| Molecular Formula | C24H38F3NO4 |
| Exact Mass | 461.275293 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3I1OQr9g7TB |
|---|---|
| Name | APQWCQIPZHJFAU-XVSDJDOKSA-N |
| Compound Number | 2F |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H38F3NO4 |
| InChI | InChI=1S/C22H37NO2.C2HF3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23;3-2(4,5)1(6)7/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21,23H2,1H3;(H,6,7)/b7-6-,10-9-,13-12-,16-15-; |
| InChIKey | APQWCQIPZHJFAU-XVSDJDOKSA-N |
| Literature Reference Author | R.OTTRIA,S.CASATI,P.CIUFFREDA |
| Literature Reference Citation | MAGN.RES.CHEM.,50,823(2012) |
| Literature Reference DOI | 10.1002/mrc.3891 |
| Molecular Weight | 461.565 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU82429 |