| 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 | K7pldSA1dCd |
|---|---|
| Name | CAFFEINE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 |
| Molecular Weight | 194.0802 |
| SMILES | C1(=O)N(C)c2nc[n](c2C(=O)N1C)C |
| SPLASH | splash10-052f-6900000000-b06455f99730ca2c65a7 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |