![N-[1'-Cyanoethyl]-phenylalaninamide](/api/spectrum/LUpWR738LJx/structure.png?h=300&w=458 "N-[1'-Cyanoethyl]-phenylalaninamide")
| SpectraBase Compound ID | LKeTDHtC4Wz |
|---|---|
| InChI | InChI=1S/C12H15N3O/c1-9(8-13)15-11(12(14)16)7-10-5-3-2-4-6-10/h2-6,9,11,15H,7H2,1H3,(H2,14,16) |
| InChIKey | FZCHTQDCPWWWFD-UHFFFAOYSA-N |
| Mol Weight | 217.27 g/mol |
| Molecular Formula | C12H15N3O |
| Exact Mass | 217.121512 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LUpWR738LJx |
|---|---|
| Name | N-[1'-Cyanoethyl]-phenylalaninamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.121512114 u |
| Formula | C12H15N3O |
| InChI | InChI=1S/C12H15N3O/c1-9(8-13)15-11(12(14)16)7-10-5-3-2-4-6-10/h2-6,9,11,15H,7H2,1H3,(H2,14,16) |
| InChIKey | FZCHTQDCPWWWFD-UHFFFAOYSA-N |
| Molecular Weight | 217.272 g/mol |
| SMILES | C(C(NC(C#N)C)CC=1C=CC=CC1)(=O)N |