Dataset
infrared absorption spectroscopy (IR)
Chemical Info
| InChI | InChI=1S/C10H8N2O2/c1-13-9-3-7(5-11)8(6-12)4-10(9)14-2/h3-4H,1-2H3 |
|---|---|
| SMILES | COc1cc(C#N)c(cc1OC)C#N |
| InChI Key | BDSTWWJVHJRQHV-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2O2 |
| Exact Mass | 188.183 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/BDSTWWJVHJRQHV-UHFFFAOYSA-N/CHMO0000630 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/BDSTWWJVHJRQHV-UHFFFAOYSA-N/CHMO0000630 |
| Version | |
| Author | Lukas Langer |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2025-03-08T03:05:14.093695 |
| MetadataModified | 2025-03-09T03:14:33.596103 |
| MetadataPublished | 2025-03-07 |
| Related Molecule |