| SpectraBase Compound ID | 2eqYTgCeRPm |
|---|---|
| InChI | InChI=1S/C27H36F17IO2/c1-3-4-5-6-7-8-9-10-11-14-17(18(45)15-12-13-16-19(46)47-2)20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)26(40,41)27(42,43)44/h17-18H,3-16H2,1-2H3 |
| InChIKey | WTTZSBPPEIRWHU-UHFFFAOYSA-N |
| Mol Weight | 842.5 g/mol |
| Molecular Formula | C27H36F17IO2 |
| Exact Mass | 842.148854 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | L4lpYV1EllU |
|---|---|
| Name | 7-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-6-iodo-stearic acid methyl ester |
| CAS Registry Number | 138697-01-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H36F17IO2 |
| InChI | InChI=1S/C27H36F17IO2/c1-3-4-5-6-7-8-9-10-11-14-17(18(45)15-12-13-16-19(46)47-2)20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)26(40,41)27(42,43)44/h17-18H,3-16H2,1-2H3 |
| InChIKey | WTTZSBPPEIRWHU-UHFFFAOYSA-N |
| Molecular Weight | 842.460 g/mol |
| SMILES | C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(I)CCCCC(=O)OC)CCCCCCCCCCC)(F)F)(F)F)(F)F)(F)F |
| SPLASH | splash10-0abc-9000000000-8c0e7a5e2113a699e585 |
| Source of Spectrum | U-1992-213-14 |
| Synonyms | 7-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-6-iodooctadecanoic acid methyl ester Methyl 7-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-6-iodo-octadecanoate Methyl 7-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octyl]-6-iodanyl-octadecanoate |
| Wiley ID | 763744 |