| SpectraBase Spectrum ID |
JgDwh1JE2zI |
| Name |
Trifluoroacetic acid, 5-ethyl-2-nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.165014468 u |
| Formula |
C13H23F3O2 |
| InChI |
InChI=1S/C13H23F3O2/c1-4-6-7-11(5-2)9-8-10(3)18-12(17)13(14,15)16/h10-11H,4-9H2,1-3H3 |
| InChIKey |
YVAYYNMSZAVYJS-UHFFFAOYSA-N |
| Molecular Weight |
268.320 g/mol |
| SMILES |
C(F)(F)(F)C(OC(CCC(CCCC)CC)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.91097 |
