| SpectraBase Spectrum ID |
4QjfcCZb0lr |
| Name |
(1R,2S,5R)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl 2-iodo-3-perfluorohexylpropanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H26F13IO2 |
| InChI |
InChI=1S/C25H26F13IO2/c1-13-9-10-15(19(2,3)14-7-5-4-6-8-14)17(11-13)41-18(40)16(39)12-20(26,27)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)38/h4-8,13,15-17H,9-12H2,1-3H3/t13-,15-,16?,17-/m1/s1 |
| InChIKey |
PLVMWAFNQWNHLK-OZJMSWMPSA-N |
| Molecular Weight |
732.365 g/mol |
| SMILES |
CC([C@]1([C@@](C[C@@](CC1)(C)[H])(OC(C(CC(C(C(C(C(F)(F)C(F)(F)F)(F)F)(F)F)(F)F)(F)F)I)=O)[H])[H])(C)c1ccccc1 |
| SPLASH |
splash10-014l-6920301000-a31a82baa1ff794164d6 |
| Source of Spectrum |
A1-9-2513/SMS3-9 |
| Synonyms |
(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-iodononanoate |
| Wiley ID |
1758187 |
