Dataset
1H nuclear magnetic resonance spectroscopy (1H NMR)
Chemical Info
| InChI | InChI=1S/C16H8Br2FN5/c17-11-5-13-14(6-12(11)18)21-16(7-20-13)24-8-15(22-23-24)9-1-3-10(19)4-2-9/h1-8H |
|---|---|
| SMILES | Fc1ccc(cc1)c1nnn(c1)c1cnc2c(n1)cc(c(c2)Br)Br |
| InChI Key | YIWVXUFWXSUZKW-UHFFFAOYSA-N |
| Molecular Formula | C16H8Br2FN5 |
| Exact Mass | 449.075 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/YIWVXUFWXSUZKW-UHFFFAOYSA-N/CHMO0000593 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/YIWVXUFWXSUZKW-UHFFFAOYSA-N/CHMO0000593 |
| Version | |
| Author | Laura Holzhauer |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2025-03-15T03:10:12.693607 |
| MetadataModified | 2025-03-16T03:10:17.197497 |
| MetadataPublished | 2025-03-14 |
| Related Molecule |