| SpectraBase Spectrum ID |
B7ZOvC6ch5s |
| Name |
Succinic acid, hexadecyl 2,2,2-trifluoroethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.280044221 u |
| Formula |
C22H39F3O4 |
| InChI |
InChI=1S/C22H39F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-28-20(26)16-17-21(27)29-19-22(23,24)25/h2-19H2,1H3 |
| InChIKey |
ONDWRZIPRCSVOI-UHFFFAOYSA-N |
| Molecular Weight |
424.545 g/mol |
| SMILES |
C(OCC(F)(F)F)(=O)CCC(OCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816732 |
