![2-AMINO-5-CYANO-7-METHYL-PYRROLO-[2,3-D]-PYRIMIDIN-4-ONE](/api/spectrum/IxWAOxhWIBM/structure.png?h=300&w=458 "2-AMINO-5-CYANO-7-METHYL-PYRROLO-[2,3-D]-PYRIMIDIN-4-ONE")
| SpectraBase Compound ID | 6pu7DrNAVwO |
|---|---|
| InChI | InChI=1S/C8H7N5O/c9-2-4-13-3-1-5-6(13)11-8(10)12-7(5)14/h1,3H,4H2,(H3,10,11,12,14) |
| InChIKey | SEUIXPKCDLZAIZ-UHFFFAOYSA-N |
| Mol Weight | 189.18 g/mol |
| Molecular Formula | C8H7N5O |
| Exact Mass | 189.06506 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IxWAOxhWIBM |
|---|---|
| Name | 2-AMINO-5-CYANO-7-METHYL-PYRROLO-[2,3-D]-PYRIMIDIN-4-ONE |
| Compound Number | 25 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C8H7N5O/c9-2-4-13-3-1-5-6(13)11-8(10)12-7(5)14/h1,3H,4H2,(H3,10,11,12,14) |
| InChIKey | SEUIXPKCDLZAIZ-UHFFFAOYSA-N |
| Literature Reference | G.C.HOOPS,J.PARK,G.A.GARCIA,L.B.TOWNSEND J.HETCYCL.CHEM.,33,767(1996) |
| Solvent | Dimethyl sulfoxide-d6 |
| Technique | C/H SHIFT CORRELATION |