![3,4,5-TRI-TERT.-BUTYL-1,2-BIS-(TRIFLUOROMETHYL)-TETRACYCLO-[2.2.0.0(2,6).0(3,5)]-HEXANE-6-CARBOXYLIC-ACID,TERT.-BUTYLESTER](/api/spectrum/7D6dGQKDPsY/structure.png?h=300&w=458 "3,4,5-TRI-TERT.-BUTYL-1,2-BIS-(TRIFLUOROMETHYL)-TETRACYCLO-[2.2.0.0(2,6).0(3,5)]-HEXANE-6-CARBOXYLIC-ACID,TERT.-BUTYLESTER")
| SpectraBase Compound ID | LlVaSVvQEDY |
|---|---|
| InChI | InChI=1S/C25H36F6O2/c1-14(2,3)19-18(13(32)33-17(10,11)12)22(24(26,27)28)20(19,15(4,5)6)21(19,16(7,8)9)23(18,22)25(29,30)31/h1-12H3/t18-,19+,20-,21+,22+,23- |
| InChIKey | MPELLHKTZNIOIY-WCXQMFAGSA-N |
| Mol Weight | 482.6 g/mol |
| Molecular Formula | C25H36F6O2 |
| Exact Mass | 482.261949 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7D6dGQKDPsY |
|---|---|
| Name | 3,4,5-TRI-TERT.-BUTYL-1,2-BIS-(TRIFLUOROMETHYL)-TETRACYCLO-[2.2.0.0(2,6).0(3,5)]-HEXANE-6-CARBOXYLIC-ACID,TERT.-BUTYLESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H36F6O2 |
| InChI | InChI=1S/C25H36F6O2/c1-14(2,3)19-18(13(32)33-17(10,11)12)22(24(26,27)28)20(19,15(4,5)6)21(19,16(7,8)9)23(18,22)25(29,30)31/h1-12H3/t18-,19+,20-,21+,22+,23- |
| InChIKey | MPELLHKTZNIOIY-WCXQMFAGSA-N |
| Literature Reference Author | H.WINGERT,M.REGITZ |
| Literature Reference Citation | CHEM.BER.,119,244(1986) |
| Literature Reference DOI | 10.1002/cber.19861190122 |
| Molecular Weight | 482.550 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGB1606 |