Dataset
Quinine.noesy
Chemical Info
| InChI | InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1 |
|---|---|
| SMILES | C=C[C@H]1C[N@]2CC[C@H]1C[C@H]2[C@H](O)C1=CC=NC2=C1C=C(OC)C=C2 |
| InChI Key | LOUPRKONTZGTKE-WZBLMQSHSA-N |
| Molecular Formula | C20H24N2O2 |
| Exact Mass | 324.400 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.57992/nmrxiv.p31.s184.d791 |
| License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
| Source | https://nmrxiv.org/D791 |
| Version | |
| Author | Anna Rudo, Prof. Dr. Klaus-Peter Zeller, Prof. Dr. Hans-Ullrich Siehl, Prof. Dr. Stefan Berger, Prof. Dr. Dieter Sicker |
| Maintainer | |
| Language | english |
| MetadataCreated | 2024-04-22T15:52:11.392205 |
| MetadataModified | 2024-09-23T09:29:55.302486 |
| MetadataPublished | 2023-12-21 14:19:30 |
| Related Molecule |