3_SODXXI_003_C19_IMINE_FULL_07_17_2021-CP3.cosy
Dataset description:
This dataset contains NMR spectra obtained for the sample -3_SODXXI_003_C19_IMINE_FULL_07_17_2021-CP3 date: 2021-07-18T00:38:51.000Z isFt: true name:...
Chemical Info
| InChI | InChI=1S/C28H36N2O4/c1-18(31)33-21-11-14-28(17-30-26-6-4-5-15-29-26)20(16-21)7-8-22-23-9-10-25(34-19(2)32)27(23,3)13-12-24(22)28/h4-7,15,17,21-25H,8-14,16H2,1-3H3/b30-17+ |
|---|---|
| SMILES | CC(=O)OC1CCC2(/C=N/C3=NC=CC=C3)C(=CCC3C2CCC2(C)C(OC(C)=O)CCC32)C1 |
| InChI Key | RGLFMADTEZTXHV-OCSSWDANSA-N |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | February 3, 2025 |
| Metadata last updated | February 3, 2025 |
| Created | February 3, 2025 |
| Format | HTML |
| License | Attribution-NonCommercial-ShareAlike 4.0 International |
| Id | d52e58c4-f7e9-4452-ac22-5cc26cb82570 |
| Package id | nmrxiv-d2998 |
| Resource type | HTML |
| State | active |