| SpectraBase Spectrum ID |
DlGvNipMP9k |
| Name |
Perfluoroctanoic acid hexyl ester |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
498.067602102 u |
| Formula |
C14H13F15O2 |
| InChI |
InChI=1S/C14H13F15O2/c1-2-3-4-5-6-31-7(30)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h2-6H2,1H3 |
| InChIKey |
KHELVFSKTOQOCW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
498.232 g/mol |
| Nominal Mass |
498 u |
| Quality |
971 |
| Retention Index |
1146 |
| SMILES |
C(C(C(C(C(OCCCCCC)=O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F |
| SPLASH |
splash10-0006-9100000000-9061e2476245927d5f6b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
hexyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006023 |
