![1-[trans-4-(1,2-Difluoro-2-phenylsulfinylethyl)cyclohexyl]-trans-4-pentylcyclohexane](/api/spectrum/3dy6z0lwl8y/structure.png?h=300&w=458 "1-[trans-4-(1,2-Difluoro-2-phenylsulfinylethyl)cyclohexyl]-trans-4-pentylcyclohexane")
| SpectraBase Compound ID | InfJ5tl0cOx |
|---|---|
| InChI | InChI=1S/C25H38F2OS/c1-2-3-5-8-19-11-13-20(14-12-19)21-15-17-22(18-16-21)24(26)25(27)29(28)23-9-6-4-7-10-23/h4,6-7,9-10,19-22,24-25H,2-3,5,8,11-18H2,1H3/t19-,20-,21-,22-,24?,25?,29? |
| InChIKey | KYMBZULCFUJXPG-VBBPGLMVSA-N |
| Mol Weight | 424.6 g/mol |
| Molecular Formula | C25H38F2OS |
| Exact Mass | 424.261143 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3dy6z0lwl8y |
|---|---|
| Name | 1-[trans-4-(1,2-Difluoro-2-phenylsulfinylethyl)cyclohexyl]-trans-4-pentylcyclohexane |
| Alternate Name(s) | ({1,2-difluoro-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethane}sulfinyl)benzene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H38F2OS |
| InChI | InChI=1S/C25H38F2OS/c1-2-3-5-8-19-11-13-20(14-12-19)21-15-17-22(18-16-21)24(26)25(27)29(28)23-9-6-4-7-10-23/h4,6-7,9-10,19-22,24-25H,2-3,5,8,11-18H2,1H3/t19-,20-,21-,22-,24?,25?,29? |
| InChIKey | KYMBZULCFUJXPG-VBBPGLMVSA-N |
| Molecular Weight | 424.635 g/mol |
| SMILES | C(S(=O)c1ccccc1)(C([C@]1(CC[C@@](CC1)([C@]1(CC[C@@](CC1)(CCCCC)[H])[H])[H])[H])F)F |
| SPLASH | splash10-00o1-9600000000-2f6493e0c600696fd2ec |
| Source of Spectrum | AJ-73-1640-5 |
| Wiley ID | 775506 |