| SpectraBase Compound ID | 4mzd1AfvPzj |
|---|---|
| InChI | InChI=1S/C15H18F12O2/c1-2-3-4-5-6-7-9(28)29-8-11(18,19)13(22,23)15(26,27)14(24,25)12(20,21)10(16)17/h10H,2-8H2,1H3 |
| InChIKey | ZBQGYLOCTOSSHS-UHFFFAOYSA-N |
| Mol Weight | 458.29 g/mol |
| Molecular Formula | C15H18F12O2 |
| Exact Mass | 458.111518 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1MsYEKd57bK |
|---|---|
| Name | Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester |
| Alternate Name(s) | 1,1,7-Trihydroperfluoroheptyl octanoate 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl octanoate 2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)heptyl octanoate Caprylic acid 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester Octanoic acid 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester |
| CAS Registry Number | 18770-62-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H18F12O2 |
| InChI | InChI=1S/C15H18F12O2/c1-2-3-4-5-6-7-9(28)29-8-11(18,19)13(22,23)15(26,27)14(24,25)12(20,21)10(16)17/h10H,2-8H2,1H3 |
| InChIKey | ZBQGYLOCTOSSHS-UHFFFAOYSA-N |
| Molecular Weight | 458.288 g/mol |
| SMILES | C(C(C(COC(CCCCCCC)=O)(F)F)(F)F)(C(C(C(F)F)(F)F)(F)F)(F)F |
| SPLASH | splash10-05mo-9102000000-fe9ccfc87cfc36e7ad41 |
| Source of Spectrum | AD-0-1022-0 |
| Wiley ID | 61143 |