SpectraBase Spectrum ID |
FbWkUasSEjK |
Name |
Pentadecafluorooctanoic acid, isobutyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
470.036301973 u |
Formula |
C12H9F15O2 |
InChI |
InChI=1S/C12H9F15O2/c1-4(2)3-29-5(28)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h4H,3H2,1-2H3 |
InChIKey |
WRMQEARPYRLONJ-UHFFFAOYSA-N |
Molecular Weight |
470.178 g/mol |
SMILES |
C(C(F)(F)C(C(F)(F)C(C(C(=O)OCC(C)C)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F |