![ANTI-[3-(TRIFLUOROMETHYL)-PHENYL]-DI-(1-ADAMANTYL)-METHANE](/api/spectrum/Cqd5UNSsMQ0/structure.png?h=300&w=458 "ANTI-[3-(TRIFLUOROMETHYL)-PHENYL]-DI-(1-ADAMANTYL)-METHANE")
| SpectraBase Compound ID | 2xyKTpBlr3 |
|---|---|
| InChI | InChI=1S/C28H35F3/c29-28(30,31)24-3-1-2-23(10-24)25(26-11-17-4-18(12-26)6-19(5-17)13-26)27-14-20-7-21(15-27)9-22(8-20)16-27/h1-3,10,17-22,25H,4-9,11-16H2/t17-,18+,19-,20-,21+,22-,25?,26-,27? |
| InChIKey | XMEMYUGQEYELTP-YZNYDTIKSA-N |
| Mol Weight | 428.6 g/mol |
| Molecular Formula | C28H35F3 |
| Exact Mass | 428.269086 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cqd5UNSsMQ0 |
|---|---|
| Name | SYN-[3-(TRIFLUOROMETHYL)-PHENYL]-DI-(1-ADAMANTYL)-METHANE |
| Compound Number | 4C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H35F3 |
| InChI | InChI=1S/C28H35F3/c29-28(30,31)24-3-1-2-23(10-24)25(26-11-17-4-18(12-26)6-19(5-17)13-26)27-14-20-7-21(15-27)9-22(8-20)16-27/h1-3,10,17-22,25H,4-9,11-16H2/t17-,18+,19-,20-,21+,22-,25?,26-,27? |
| InChIKey | XMEMYUGQEYELTP-YZNYDTIKSA-N |
| Literature Reference Author | J.S.LOMAS,J.VAISSERMANN |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-2,2589(1997) |
| Literature Reference DOI | 10.1039/a703648e |
| Molecular Weight | 428.581 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU6335 |