| SpectraBase Spectrum ID |
Ctl5nsxeJQA |
| Name |
4-Tert-octylphenol diethoxylate, o-pentafluoropropionyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.198600225 u |
| Formula |
C21H29F5O4 |
| InChI |
InChI=1S/C21H29F5O4/c1-18(2,3)14-19(4,5)15-6-8-16(9-7-15)29-12-10-28-11-13-30-17(27)20(22,23)21(24,25)26/h6-9H,10-14H2,1-5H3 |
| InChIKey |
RXRIMLGPEWZJQG-UHFFFAOYSA-N |
| Molecular Weight |
440.451 g/mol |
| SMILES |
C(CC(C)(C)C)(C)(C)C1=CC=C(C=C1)OCCOCCOC(C(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92421 |
