Dataset
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Info
| InChI | InChI=1S/C36H23N3/c1-5-13-33-25(9-1)26-10-2-6-14-34(26)38(33)23-17-19-31-29(21-23)30-22-24(18-20-32(30)37-31)39-35-15-7-3-11-27(35)28-12-4-8-16-36(28)39/h1-22,37H |
|---|---|
| SMILES | c1ccc2c(c1)n(c1ccc3c(c1)c1cc(ccc1[nH]3)n1c3ccccc3c3c1cccc3)c1c2cccc1 |
| InChI Key | OGDZAJUZGODBKX-UHFFFAOYSA-N |
| Molecular Formula | C36H23N3 |
| Exact Mass | 497.588 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/OGDZAJUZGODBKX-UHFFFAOYSA-N/CHMO0001146 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/OGDZAJUZGODBKX-UHFFFAOYSA-N/CHMO0001146 |
| Version | |
| Author | Pit Turpel |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataPublished | 2025-05-08 |
| Related Molecule |
|
| Field | Value |
|---|---|
| Measurement Technique | 1H–13C heteronuclear single quantum coherence |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 81046557 | PubChem: Thomson Pharma |
| SCHEMBL45708 | SureChEMBL |
| 12103890 | PubChem |
| ZINC000112991119 | ZINC |
| CB12728734 | ChemicalBook |
| J1.928.487E | Nikkaji |
| The data in this table is sourced from UniChem at EBI. | |