Dataset
![molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
| InChI | InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18+,19-/m0/s1 |
|---|---|
| SMILES | C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cccc2)O |
| InChI Key | KMPWYEUPVWOPIM-QAMTZSDWSA-N |
| Molecular Formula | C19H22N2O |
| Exact Mass | 294.391 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/KMPWYEUPVWOPIM-QAMTZSDWSA-N/CHMO0000595 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/KMPWYEUPVWOPIM-QAMTZSDWSA-N/CHMO0000595 |
| Version | |
| Author | Johannes Liermann |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2025-01-29T10:47:43.820913 |
| MetadataModified | 2025-01-29T16:40:08.032276 |
| MetadataPublished | 2024-12-02 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | 13C nuclear magnetic resonance spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 90454 | PubChem |
| 60032698 | NMRShiftDB |
| 14800210 | PubChem: Thomson Pharma |
| V43X79NZCD | FDA SRS |
| 14824982 | PubChem: Thomson Pharma |
| PD046021 | ProbesDrugs |
| 1012601 | eMolecules |
| 30316123 | eMolecules |
| MTBLC27509 | Metabolights |
| ZINC000003881680 | ZINC |
| SCHEMBL158394 | SureChEMBL |
| MCULE-5498373209 | Mcule |
| 27509 | ChEBI |
| CHEMBL588619 | ChEMBL |
| CINCHO | CCDC |
| J2.475I | Nikkaji |
| HY-Y0152 | MedChemExpress |
| 50370411 | BindingDB |
| 29390005 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |