Dataset
1H nuclear magnetic resonance spectroscopy (1H NMR)
Chemical Information
| InChI | InChI=1S/C24H25NO/c26-24(21-13-6-2-7-14-21,22-15-8-3-9-16-22)23-17-10-18-25(23)19-20-11-4-1-5-12-20/h1-9,11-16,23,26H,10,17-19H2/t23-/m0/s1 |
|---|---|
| SMILES | OC([C@@H]1CCCN1Cc1ccccc1)(c1ccccc1)c1ccccc1 |
| InChI Key | AZOXPIPWRDWNBA-QHCPKHFHSA-N |
| Exact Mass | 343.461 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/AZOXPIPWRDWNBA-QHCPKHFHSA-N/CHMO0000593 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/AZOXPIPWRDWNBA-QHCPKHFHSA-N/CHMO0000593 |
| Version | |
| Author | Thorsten Bach |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataPublished | 2025-11-24 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | 1H nuclear magnetic resonance spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL4908363 | chembl |
| 20128479 | surechembl |
| 1260655 | pubchem |
| GELROE | CCDC |
| DTXSID60361407 | comptox |
| Molport-027-836-286 | molport |
| The data in this table is sourced from UniChem at EBI. | |