Dataset
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
Chemical Info
| InChI | InChI=1S/C6H5NO/c8-5-6-3-1-2-4-7-6/h1-5H |
|---|---|
| SMILES | O=Cc1ccccn1 |
| InChI Key | CSDSSGBPEUDDEE-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO |
| Exact Mass | 107.110 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/CSDSSGBPEUDDEE-UHFFFAOYSA-N/CHMO0001148 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/CSDSSGBPEUDDEE-UHFFFAOYSA-N/CHMO0001148 |
| Version | |
| Author | Jana Alpin |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2025-02-04T13:29:30.897229 |
| MetadataModified | 2025-02-04T13:29:30.897236 |
| MetadataPublished | 2025-01-22 |
| Related Molecule |