| SpectraBase Spectrum ID |
xAQntBiyi8 |
| Name |
Pentadecafluorooctanoic acid, pent-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
484.051952037 u |
| Formula |
C13H11F15O2 |
| InChI |
InChI=1S/C13H11F15O2/c1-3-4-5(2)30-6(29)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28/h5H,3-4H2,1-2H3 |
| InChIKey |
OKDHCKXQNFQLIZ-UHFFFAOYSA-N |
| Molecular Weight |
484.205 g/mol |
| SMILES |
C(C(F)(F)C(C(F)(F)C(C(C(=O)OC(C)CCC)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844703 |
