| SpectraBase Compound ID | 5mzfOFTj9A9 |
|---|---|
| InChI | InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 |
| InChIKey | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
| Mol Weight | 194.19 g/mol |
| Molecular Formula | C8H10N4O2 |
| Exact Mass | 194.080376 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | I8Gdv6cTt8P |
|---|---|
| Name | Caffeine |
| Catalog Number | 14118 |
| CAS Registry Number | 58-08-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H10N4O2 |
| InChI | InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 |
| InChIKey | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
| SMILES | C1(N(C(c2c(N1C)nc[n]2C)=O)C)=O |
| SPLASH | splash10-052f-7900000000-95d2c8a9b6863fb80317 |
| Source of Spectrum | CAY-2023-1584-0 |
| Wiley ID | 1889521 |