| SpectraBase Compound ID | KNxJfV6Vo7I |
|---|---|
| InChI | InChI=1S/C27H48NO5/c1-11-12-23(29-6)16-24(30-7)17-25(31-8)18-26(32-9)19-27(33-10)21(3)15-20(2)13-14-22(4)28-5/h5,11,13,15,22-27H,1,12,14,16-19H2,2-4,6-10H3/q+1/b20-13+,21-15+/t22-,23-,24-,25-,26-,27-/m0/s1 |
| InChIKey | VZXSNUMFFLSPFX-GKAJUAEBSA-N |
| Mol Weight | 466.7 g/mol |
| Molecular Formula | C27H48NO5 |
| Exact Mass | 466.353249 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HY94tW6WaBz |
|---|---|
| Name | MIRABILENE-F-ISONITRILE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H48NO5 |
| InChI | InChI=1S/C27H48NO5/c1-11-12-23(29-6)16-24(30-7)17-25(31-8)18-26(32-9)19-27(33-10)21(3)15-20(2)13-14-22(4)28-5/h5,11,13,15,22-27H,1,12,14,16-19H2,2-4,6-10H3/q+1/b20-13+,21-15+/t22-,23-,24-,25-,26-,27-/m0/s1 |
| InChIKey | VZXSNUMFFLSPFX-GKAJUAEBSA-N |
| Literature Reference Author | S.CARMELI,R.E.MOORE,G.M.L.PATTERSON,Y.MORI,M.SUZUKI |
| Literature Reference Citation | J.ORG.CHEM.,55,4431(1990) |
| Literature Reference DOI | 10.1021/jo00301a041 |
| Molecular Weight | 466.682 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWCS14625 |