| SpectraBase Spectrum ID |
Jqb847dtaPu |
| Name |
Pentadecafluorooctanoic acid, oct-3-en-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
524.083252166 u |
| Formula |
C16H15F15O2 |
| InChI |
InChI=1S/C16H15F15O2/c1-3-4-5-6-7-8(2)33-9(32)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h6-8H,3-5H2,1-2H3/b7-6+ |
| InChIKey |
YTNCTWJYJGADOP-VOTSOKGWSA-N |
| Molecular Weight |
524.270 g/mol |
| SMILES |
C(C(F)(F)C(C(F)(F)C(C(C(=O)OC(C)\C=C\CCCC)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87989 |
