| SpectraBase Spectrum ID |
15oDMdQSHk6 |
| Name |
Diethylmalonic acid, hexadecyl 1,1,1-trifluoroprop-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
480.342644478 u |
| Formula |
C26H47F3O4 |
| InChI |
InChI=1S/C26H47F3O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32-23(30)25(6-2,7-3)24(31)33-22(4)26(27,28)29/h22H,5-21H2,1-4H3 |
| InChIKey |
FDRSWKUWSSPWLO-UHFFFAOYSA-N |
| Molecular Weight |
480.653 g/mol |
| SMILES |
C(C(C(OCCCCCCCCCCCCCCCC)=O)(CC)CC)(OC(C(F)(F)F)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891304 |
