Dataset
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Information
| InChI | InChI=1S/C20H13N/c1-2-15-11-13-16(14-12-15)21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h1,3-14H |
|---|---|
| SMILES | C#Cc1ccc(cc1)n1c2ccccc2c2c1cccc2 |
| InChI Key | JJIQKIUIIVFHAN-UHFFFAOYSA-N |
| Exact Mass | 267.324 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/JJIQKIUIIVFHAN-UHFFFAOYSA-N/CHMO0001146 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/JJIQKIUIIVFHAN-UHFFFAOYSA-N/CHMO0001146 |
| Version | |
| Author | Laura Holzhauer |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataPublished | 2025-10-22 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | CHMO:0001146 |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 2434969 | surechembl |
| 29679035 | surechembl |
| 29985595 | surechembl |
| 15606338 | pubchem |
| JAYSEI | CCDC |
| Molport-023-219-870 | molport |
| The data in this table is sourced from UniChem at EBI. | |