![2-[(2E)-3-(dimethylamino)-2-propenylidene]malononitrile](/api/spectrum/GhrXtNMWFdf/structure.png?h=300&w=458 "2-[(2E)-3-(dimethylamino)-2-propenylidene]malononitrile")
| SpectraBase Compound ID | ICxmMPn4bJI |
|---|---|
| InChI | InChI=1S/C8H9N3/c1-11(2)5-3-4-8(6-9)7-10/h3-5H,1-2H3/b5-3+ |
| InChIKey | COMHXTNMJANPSM-HWKANZROSA-N |
| Mol Weight | 147.18 g/mol |
| Molecular Formula | C8H9N3 |
| Exact Mass | 147.079647 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GhrXtNMWFdf |
|---|---|
| Name | 2-[(2E)-3-(Dimethylamino)-2-propenylidene]malononitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 147.079647302 u |
| Formula | C8H9N3 |
| InChI | InChI=1S/C8H9N3/c1-11(2)5-3-4-8(6-9)7-10/h3-5H,1-2H3/b5-3+ |
| InChIKey | COMHXTNMJANPSM-HWKANZROSA-N |
| Molecular Weight | 147.181 g/mol |
| SMILES | C(C#N)(C#N)=C\C=C\N(C)C |