![3,4,5-TRI-TERT.-BUTYL-1,2-DICYANOTETRACYCLO-[2.2.0.0(2,6).0(3,5)]-HEXANE-6-CARBOXYLIC-ACID,TERT.-BUTYLESTER](/api/spectrum/JegFRS7A46Q/structure.png?h=300&w=458 "3,4,5-TRI-TERT.-BUTYL-1,2-DICYANOTETRACYCLO-[2.2.0.0(2,6).0(3,5)]-HEXANE-6-CARBOXYLIC-ACID,TERT.-BUTYLESTER")
| SpectraBase Compound ID | LZiUhN9dCSA |
|---|---|
| InChI | InChI=1S/C25H36N2O2/c1-16(2,3)23-20(13-26)21(14-27)22(20,15(28)29-19(10,11)12)25(23,18(7,8)9)24(21,23)17(4,5)6/h1-12H3/t20-,21+,22-,23+,24-,25+ |
| InChIKey | MSHCIQPWGYMDIX-ZWZZYCPGSA-N |
| Mol Weight | 396.6 g/mol |
| Molecular Formula | C25H36N2O2 |
| Exact Mass | 396.277678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JegFRS7A46Q |
|---|---|
| Name | 3,4,5-TRI-TERT.-BUTYL-1,2-DICYANOTETRACYCLO-[2.2.0.0(2,6).0(3,5)]-HEXANE-6-CARBOXYLIC-ACID,TERT.-BUTYLESTER |
| Compound Number | 10C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H36N2O2 |
| InChI | InChI=1S/C25H36N2O2/c1-16(2,3)23-20(13-26)21(14-27)22(20,15(28)29-19(10,11)12)25(23,18(7,8)9)24(21,23)17(4,5)6/h1-12H3/t20-,21+,22-,23+,24-,25+ |
| InChIKey | MSHCIQPWGYMDIX-ZWZZYCPGSA-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 | 396.573 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGB1605 |