![1-[trans-4-(2,3-Difluoro-3-phenylsulfinylpropyl)cyclohexyl]-trans-4-pentylcyclohexane](/api/spectrum/A7xd8KvdeYv/structure.png?h=300&w=458 "1-[trans-4-(2,3-Difluoro-3-phenylsulfinylpropyl)cyclohexyl]-trans-4-pentylcyclohexane")
| SpectraBase Compound ID | 4cm2Fu4OK1X |
|---|---|
| InChI | InChI=1S/C26H40F2OS/c1-2-3-5-8-20-11-15-22(16-12-20)23-17-13-21(14-18-23)19-25(27)26(28)30(29)24-9-6-4-7-10-24/h4,6-7,9-10,20-23,25-26H,2-3,5,8,11-19H2,1H3/t20-,21-,22-,23-,25?,26?,30? |
| InChIKey | PIGNKFIUKILLDP-OIOAVFQTSA-N |
| Mol Weight | 438.7 g/mol |
| Molecular Formula | C26H40F2OS |
| Exact Mass | 438.276793 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | A7xd8KvdeYv |
|---|---|
| Name | 1-[trans-4-(2,3-Difluoro-3-phenylsulfinylpropyl)cyclohexyl]-trans-4-pentylcyclohexane |
| Alternate Name(s) | ({1,2-difluoro-3-[4-(4-pentylcyclohexyl)cyclohexyl]propane}sulfinyl)benzene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H40F2OS |
| InChI | InChI=1S/C26H40F2OS/c1-2-3-5-8-20-11-15-22(16-12-20)23-17-13-21(14-18-23)19-25(27)26(28)30(29)24-9-6-4-7-10-24/h4,6-7,9-10,20-23,25-26H,2-3,5,8,11-19H2,1H3/t20-,21-,22-,23-,25?,26?,30? |
| InChIKey | PIGNKFIUKILLDP-OIOAVFQTSA-N |
| Molecular Weight | 438.662 g/mol |
| SMILES | C(S(=O)c1ccccc1)(C(C[C@]1(CC[C@]([C@]2(CC[C@@](CC2)(CCCCC)[H])[H])(CC1)[H])[H])F)F |
| SPLASH | splash10-00pi-9800100000-463c6266fd2cd75782f0 |
| Source of Spectrum | AJ-73-1640-5 |
| Wiley ID | 775505 |