| SpectraBase Compound ID | 3LB3EMnDGnm |
|---|---|
| InChI | InChI=1S/C13H8N4O/c14-5-8(6-15)12-9-3-1-2-4-11(9)18-13(17)10(12)7-16/h1-4,8,12H,17H2 |
| InChIKey | DMSVNNLJHUFAFX-UHFFFAOYSA-N |
| Mol Weight | 236.23 g/mol |
| Molecular Formula | C13H8N4O |
| Exact Mass | 236.069811 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FJPSZp2WnGq |
|---|---|
| Name | 2-(2-AMINO-3-CYANO-4H-[1]-BENZOPYRAN-4-YL)-PROPANE-1,3-DINITRILE |
| Compound Number | 2A |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C13H8N4O/c14-5-8(6-15)12-9-3-1-2-4-11(9)18-13(17)10(12)7-16/h1-4,8,12H,17H2 |
| InChIKey | DMSVNNLJHUFAFX-UHFFFAOYSA-N |
| Literature Reference | C.N.OCALLAGHAN,T.B.H.MCMURRY,J.E.OBRIEN J.CHEM.SOC.PERKIN-1,417(1995) |
| Solvent | Dimethyl sulfoxide-d6 |