![2-AMINO-5-CYANO-3-METHYL-PYRROLO-[2,3-D]-PYRIMIDIN-4-ONE](/api/spectrum/3H8fvAlT11E/structure.png?h=300&w=458 "2-AMINO-5-CYANO-3-METHYL-PYRROLO-[2,3-D]-PYRIMIDIN-4-ONE")
| SpectraBase Compound ID | BF8rkTbpVRg |
|---|---|
| InChI | InChI=1S/C8H7N5O/c1-13-7(14)5-4(2-9)3-11-6(5)12-8(13)10/h3,11H,1H3,(H2,10,12) |
| InChIKey | JBZKBAWINVRGQV-UHFFFAOYSA-N |
| Mol Weight | 189.18 g/mol |
| Molecular Formula | C8H7N5O |
| Exact Mass | 189.06506 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3H8fvAlT11E |
|---|---|
| Name | 2-AMINO-5-CYANO-3-METHYL-PYRROLO-[2,3-D]-PYRIMIDIN-4-ONE |
| Compound Number | 47 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C8H7N5O/c1-13-7(14)5-4(2-9)3-11-6(5)12-8(13)10/h3,11H,1H3,(H2,10,12) |
| InChIKey | JBZKBAWINVRGQV-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 |