| SpectraBase Compound ID | 96H7HnbCocm |
|---|---|
| InChI | InChI=1S/C13H16N2/c1-11(2)5-4-6-12(3)7-8-13(9-14)10-15/h5,7-8H,4,6H2,1-3H3/b12-7+ |
| InChIKey | ZUJSNEUIQOHGIK-KPKJPENVSA-N |
| Mol Weight | 200.28 g/mol |
| Molecular Formula | C13H16N2 |
| Exact Mass | 200.131349 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1hkS4kTwiwF |
|---|---|
| Name | 1,3,7-Nonatriene-1,1-dicarbonitrile, 4,8-dimethyl-, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.131348523 u |
| Formula | C13H16N2 |
| InChI | InChI=1S/C13H16N2/c1-11(2)5-4-6-12(3)7-8-13(9-14)10-15/h5,7-8H,4,6H2,1-3H3/b12-7+ |
| InChIKey | ZUJSNEUIQOHGIK-KPKJPENVSA-N |
| Molecular Weight | 200.285 g/mol |
| SMILES | CC(C)=CCC\C(C)=C\C=C(C#N)C#N |