Dataset
infrared absorption spectroscopy (IR)
Chemical Info
| InChI | InChI=1S/C16H16F3N5/c1-10(2)24-9-23-13-14(21-8-22-15(13)24)20-7-11-3-5-12(6-4-11)16(17,18)19/h3-6,8-10H,7H2,1-2H3,(H,20,21,22) |
|---|---|
| SMILES | CC(n1cnc2c1ncnc2NCc1ccc(cc1)C(F)(F)F)C |
| InChI Key | ZMCDNTWMTVMOAV-UHFFFAOYSA-N |
| Molecular Formula | C16H16F3N5 |
| Exact Mass | 335.327 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/ZMCDNTWMTVMOAV-UHFFFAOYSA-N/IR |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/ZMCDNTWMTVMOAV-UHFFFAOYSA-N/IR |
| Version | |
| Author | Simone Gräßle |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-06T22:39:38.247831 |
| MetadataModified | 2024-09-07T12:01:47.895011 |
| MetadataPublished | 2014-05-27 |
| Related Molecule |