| SpectraBase Compound ID | 3wkTYW4lepU |
|---|---|
| InChI | InChI=1S/C12H11N3O/c1-10-2-4-11(5-3-10)12(16)15(8-6-13)9-7-14/h2-5H,8-9H2,1H3 |
| InChIKey | PLZHKNONMINOKE-UHFFFAOYSA-N |
| Mol Weight | 213.24 g/mol |
| Molecular Formula | C12H11N3O |
| Exact Mass | 213.090212 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HGhATQwRZ7A |
|---|---|
| Name | N,N-bis(Cyanomethyl)-4-methyl-benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.090211985 u |
| Formula | C12H11N3O |
| InChI | InChI=1S/C12H11N3O/c1-10-2-4-11(5-3-10)12(16)15(8-6-13)9-7-14/h2-5H,8-9H2,1H3 |
| InChIKey | PLZHKNONMINOKE-UHFFFAOYSA-N |
| Molecular Weight | 213.240 g/mol |
| SMILES | C(C=1C=CC(=CC1)C)(N(CC#N)CC#N)=O |