| SpectraBase Spectrum ID |
12s21sP74wU |
| Name |
Diethylmalonic acid, pentadecyl 2,2,3,3,3-pentafluoropropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
502.308150676 u |
| Formula |
C25H43F5O4 |
| InChI |
InChI=1S/C25H43F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-33-21(31)23(5-2,6-3)22(32)34-20-24(26,27)25(28,29)30/h4-20H2,1-3H3 |
| InChIKey |
OHXOYKZUJALCTJ-UHFFFAOYSA-N |
| Molecular Weight |
502.607 g/mol |
| SMILES |
C(C(C(OCCCCCCCCCCCCCCC)=O)(CC)CC)(OCC(F)(F)C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833131 |
