Classics_Caffeine.proton
Dataset description:
This dataset contains NMR spectra obtained for the sample -Classics_Caffeine date: 2005-05-30T14:13:31.000Z isFt: true name: Classics_Caffeine/1 phc0: -123.2379 phc1: -6.199999 type: NMR...
Source: Classics_Caffeine.proton
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 |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | February 3, 2025 |
| Metadata last updated | February 3, 2025 |
| Created | February 3, 2025 |
| Format | HTML |
| License | Attribution 4.0 International |
| Id | 493d96de-7da5-429d-99d6-1f0d51d1df77 |
| Package id | nmrxiv-d3038 |
| Resource type | HTML |
| State | active |