| SpectraBase Compound ID | FspT43t6CG9 |
|---|---|
| InChI | InChI=1S/C13H13N3O/c14-8-4-10-16(11-5-9-15)13(17)12-6-2-1-3-7-12/h1-3,6-7H,4-5,10-11H2 |
| InChIKey | LNCBPXWNUQBKKX-UHFFFAOYSA-N |
| Mol Weight | 227.27 g/mol |
| Molecular Formula | C13H13N3O |
| Exact Mass | 227.105862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JTRlsZ96PSS |
|---|---|
| Name | N,N-bis(2-Cyanoethyl)benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.105862050 u |
| Formula | C13H13N3O |
| InChI | InChI=1S/C13H13N3O/c14-8-4-10-16(11-5-9-15)13(17)12-6-2-1-3-7-12/h1-3,6-7H,4-5,10-11H2 |
| InChIKey | LNCBPXWNUQBKKX-UHFFFAOYSA-N |
| Molecular Weight | 227.267 g/mol |
| SMILES | C1=C(C=CC=C1)C(N(CCC#N)CCC#N)=O |