| SpectraBase Compound ID | KyBbsJtRyIs |
|---|---|
| InChI | InChI=1S/C18H21NO5/c1-21-18-8-17-3-2-4-19(17)7-14(24-18)10-5-12-13(23-9-22-12)6-11(10)15(17)16(18)20/h5-6,14-16,20H,2-4,7-9H2,1H3/t14-,15+,16-,17-,18+/m0/s1 |
| InChIKey | KYTDBKDWDOVRLJ-FLXSYLCISA-N |
| Mol Weight | 331.37 g/mol |
| Molecular Formula | C18H21NO5 |
| Exact Mass | 331.141973 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FjYOvrHRMx4 |
|---|---|
| Name | DRUPACINE |
| CAS Registry Number | 49686-57-9 |
| Compound Number | 94 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H21NO5 |
| InChI | InChI=1S/C18H21NO5/c1-21-18-8-17-3-2-4-19(17)7-14(24-18)10-5-12-13(23-9-22-12)6-11(10)15(17)16(18)20/h5-6,14-16,20H,2-4,7-9H2,1H3/t14-,15+,16-,17-,18+/m0/s1 |
| InChIKey | KYTDBKDWDOVRLJ-FLXSYLCISA-N |
| Literature Reference Author | T.A.BROADBENT,E.G.PAUL |
| Literature Reference Citation | HETEROCYCLES,20,863(1983) |
| Literature Reference DOI | 10.3987/R-1983-05-0863 |
| Molecular Weight | 331.368 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW13181 |