![2-[(1-Methyl-3-indolyl)methylidene]propanedinitrile](/api/spectrum/BcFJts4oTqp/structure.png?h=300&w=458 "2-[(1-Methyl-3-indolyl)methylidene]propanedinitrile")
| SpectraBase Compound ID | 8aEf8Qu8Jrk |
|---|---|
| InChI | InChI=1S/C13H9N3/c1-16-9-11(6-10(7-14)8-15)12-4-2-3-5-13(12)16/h2-6,9H,1H3 |
| InChIKey | ZVHTWMGONKMROW-UHFFFAOYSA-N |
| Mol Weight | 207.24 g/mol |
| Molecular Formula | C13H9N3 |
| Exact Mass | 207.079647 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BcFJts4oTqp |
|---|---|
| Name | 2-[(1-Methyl-3-indolyl)methylidene]propanedinitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.079647302 u |
| Formula | C13H9N3 |
| InChI | InChI=1S/C13H9N3/c1-16-9-11(6-10(7-14)8-15)12-4-2-3-5-13(12)16/h2-6,9H,1H3 |
| InChIKey | ZVHTWMGONKMROW-UHFFFAOYSA-N |
| Molecular Weight | 207.236 g/mol |
| SMILES | C1(=CN(C)C2=C1C=CC=C2)C=C(C#N)C#N |