![2-[(3R)-3,7-dimethyloct-6-enylidene]malononitrile](/api/spectrum/DEbiVik3DEY/structure.png?h=300&w=458 "2-[(3R)-3,7-dimethyloct-6-enylidene]malononitrile")
| SpectraBase Compound ID | D27G7vmN3qa |
|---|---|
| InChI | InChI=1S/C13H18N2/c1-11(2)5-4-6-12(3)7-8-13(9-14)10-15/h5,8,12H,4,6-7H2,1-3H3/t12-/m1/s1 |
| InChIKey | PKNIIXHLSSYPOO-GFCCVEGCSA-N |
| Mol Weight | 202.3 g/mol |
| Molecular Formula | C13H18N2 |
| Exact Mass | 202.146999 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DEbiVik3DEY |
|---|---|
| Name | 2-[(3R)-3,7-Dimethyloct-6-enylidene]malononitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.146998588 u |
| Formula | C13H18N2 |
| InChI | InChI=1S/C13H18N2/c1-11(2)5-4-6-12(3)7-8-13(9-14)10-15/h5,8,12H,4,6-7H2,1-3H3/t12-/m1/s1 |
| InChIKey | PKNIIXHLSSYPOO-GFCCVEGCSA-N |
| Molecular Weight | 202.301 g/mol |
| SMILES | C(C#N)(C#N)=CC[C@@](CCC=C(C)C)(C)[H] |