Dataset
![molecular Image]()
1H nuclear magnetic resonance spectroscopy (1H NMR)
Chemical Info
| InChI | InChI=1S/C18H12N2/c1-3-7-15-11(5-1)13-9-18-14(10-17(13)19-15)12-6-2-4-8-16(12)20-18/h1-10,19-20H |
|---|---|
| SMILES | c1ccc2c(c1)c1cc3[nH]c4c(c3cc1[nH]2)cccc4 |
| InChI Key | YCPBCVTUBBBNJJ-UHFFFAOYSA-N |
| Molecular Formula | C18H12N2 |
| Exact Mass | 256.301 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/YCPBCVTUBBBNJJ-UHFFFAOYSA-N/CHMO0000593 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/YCPBCVTUBBBNJJ-UHFFFAOYSA-N/CHMO0000593 |
| Version | |
| Author | Zhen Zhang |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-07T03:52:52.669450 |
| MetadataModified | 2024-09-07T18:54:52.969165 |
| MetadataPublished | 2020-10-05 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | 1H nuclear magnetic resonance spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL509307 | ChEMBL |
| VARMUY | CCDC |
| J487.846I | Nikkaji |
| ZINC000001671067 | ZINC |
| CB21216097 | ChemicalBook |
| 95838 | PubChem |
| 6336-32-9 | ACToR |
| 15221384 | PubChem: Thomson Pharma |
| SCHEMBL550602 | SureChEMBL |
| 7363872 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |