Dataset
infrared absorption spectroscopy (IR)
Chemical Info
| InChI | InChI=1S/C14H12ClNO/c15-10-14(17)16-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17) |
|---|---|
| SMILES | ClCC(=O)Nc1ccccc1c1ccccc1 |
| InChI Key | BDDDKTKNLZLTQD-UHFFFAOYSA-N |
| Molecular Formula | C14H12ClNO |
| Exact Mass | 245.704 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/BDDDKTKNLZLTQD-UHFFFAOYSA-N/IR |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/BDDDKTKNLZLTQD-UHFFFAOYSA-N/IR |
| Version | |
| Author | Simone Gräßle |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-06T22:50:14.824000 |
| MetadataModified | 2024-09-07T12:05:06.638677 |
| MetadataPublished | 2014-05-27 |
| Related Molecule |