| SpectraBase Compound ID | Io9BEOSTBH6 |
|---|---|
| InChI | InChI=1S/C14H17N3O3/c15-6-2-7-17(8-5-14(19)20)13(18)10-11-3-1-4-12(16)9-11/h1,3-4,9H,2,5,7-8,10,16H2,(H,19,20) |
| InChIKey | FRORROLNFDVHFD-UHFFFAOYSA-N |
| Mol Weight | 275.31 g/mol |
| Molecular Formula | C14H17N3O3 |
| Exact Mass | 275.126991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8YC4qCKEogY |
|---|---|
| Name | N-(Carboxyethyl)-N-(cyanoethyl)-3-anilineacetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.126991416 u |
| Formula | C14H17N3O3 |
| InChI | InChI=1S/C14H17N3O3/c15-6-2-7-17(8-5-14(19)20)13(18)10-11-3-1-4-12(16)9-11/h1,3-4,9H,2,5,7-8,10,16H2,(H,19,20) |
| InChIKey | FRORROLNFDVHFD-UHFFFAOYSA-N |
| SMILES | C(N(CCC(=O)O)CCC#N)(CC1=CC(N)=CC=C1)=O |