| SpectraBase Spectrum ID |
1tpJ8fTyNxZ |
| Name |
Pentadecafluorooctanoic acid, hex-4-yn-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
494.036301973 u |
| Formula |
C14H9F15O2 |
| InChI |
InChI=1S/C14H9F15O2/c1-3-5-6(4-2)31-7(30)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h6H,4H2,1-2H3 |
| InChIKey |
WIUXGCBDNKBVII-UHFFFAOYSA-N |
| Molecular Weight |
494.200 g/mol |
| SMILES |
C(C(F)(F)C(C(F)(F)C(C(C(=O)OC(CC)C#CC)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894507 |
