| 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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CbMyH4rCT5a |
|---|---|
| Name | CAFFEINE |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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 |
| Literature Reference Author | Q.LIU,J.LI,X.CHAI,Y.JIANG,P.TU |
| Literature Reference Citation | J.CHIN.PHARM.SCI.,22,427(2013) |
| Molecular Weight | 194.193 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWIR7058 |