| SpectraBase Compound ID | 5wS8jlC87LU |
|---|---|
| InChI | InChI=1S/C29H52N2O2/c1-17-13-25(33)27(30-16-17)18(2)26-24(32)15-23-21-8-7-19-14-20(31(5)6)9-11-28(19,3)22(21)10-12-29(23,26)4/h17-27,30,32-33H,7-16H2,1-6H3/t17-,18+,19+,20+,21-,22+,23+,24-,25-,26+,27-,28+,29+/m1/s1 |
| InChIKey | IIGXDMRLBMZQIV-DYTWZNAQSA-N |
| Mol Weight | 460.7 g/mol |
| Molecular Formula | C29H52N2O2 |
| Exact Mass | 460.402879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ARSVjwsNvJ |
|---|---|
| Name | 3-N,N-DIMETHYL-EPISOLACAPINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H52N2O2 |
| InChI | InChI=1S/C29H52N2O2/c1-17-13-25(33)27(30-16-17)18(2)26-24(32)15-23-21-8-7-19-14-20(31(5)6)9-11-28(19,3)22(21)10-12-29(23,26)4/h17-27,30,32-33H,7-16H2,1-6H3/t17-,18+,19+,20+,21-,22+,23+,24-,25-,26+,27-,28+,29+/m1/s1 |
| InChIKey | IIGXDMRLBMZQIV-DYTWZNAQSA-N |
| Literature Reference Author | A.K.CHAKRAVARTY,B.DAS,E.ALI,S.C.PAKRASHI |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,467(1984) |
| Literature Reference DOI | 10.1039/p19840000467 |
| Molecular Weight | 460.744 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW17203 |