| SpectraBase Compound ID | Apl8AEqAEwX |
|---|---|
| InChI | InChI=1S/C12H13N3O3/c1-2-14(8-4-7-13)12(16)10-5-3-6-11(9-10)15(17)18/h3,5-6,9H,2,4,8H2,1H3 |
| InChIKey | VGUHMHFCUFNZLH-UHFFFAOYSA-N |
| Mol Weight | 247.25 g/mol |
| Molecular Formula | C12H13N3O3 |
| Exact Mass | 247.095691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9DF5L92PVB1 |
|---|---|
| Name | N-(2-Cyanoethyl)-N-ethyl-m-nitrobenzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.095691288 u |
| Formula | C12H13N3O3 |
| InChI | InChI=1S/C12H13N3O3/c1-2-14(8-4-7-13)12(16)10-5-3-6-11(9-10)15(17)18/h3,5-6,9H,2,4,8H2,1H3 |
| InChIKey | VGUHMHFCUFNZLH-UHFFFAOYSA-N |
| Molecular Weight | 247.254 g/mol |
| SMILES | O=N(=O)C=1C=CC=C(C1)C(N(CCC#N)CC)=O |