Dataset
![molecular Image]()
caffeine.noesy
Chemical Info
| InChI | InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 |
|---|---|
| SMILES | CN1C(=O)C2=C(N=CN2C)N(C)C1=O |
| InChI Key | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
| Molecular Formula | C8H10N4O2 |
| Exact Mass | 194.190 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.57992/nmrxiv.p42.s234.d1347 |
| License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
| Source | https://nmrxiv.org/D1347 |
| Version | |
| Author | Peter Spiteller |
| Maintainer | |
| Language | english |
| MetadataCreated | 2024-04-22T16:14:03.878436 |
| MetadataModified | 2024-09-23T09:32:31.257842 |
| MetadataPublished | 2023-12-24 21:57:47 |
| Related Molecule |