![N-[(Cyanomethyl)phenylalanin]-amide](/api/spectrum/6IRI6tilRqM/structure.png?h=300&w=458 "N-[(Cyanomethyl)phenylalanin]-amide")
| SpectraBase Compound ID | 3nWr0zo15Zn |
|---|---|
| InChI | InChI=1S/C11H13N3O/c12-6-7-14-10(11(13)15)8-9-4-2-1-3-5-9/h1-5,10,14H,7-8H2,(H2,13,15) |
| InChIKey | SZMAOUYEVDKOBQ-UHFFFAOYSA-N |
| Mol Weight | 203.25 g/mol |
| Molecular Formula | C11H13N3O |
| Exact Mass | 203.105862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6IRI6tilRqM |
|---|---|
| Name | N-[(Cyanomethyl)phenylalanin]-amide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.105862050 u |
| Formula | C11H13N3O |
| InChI | InChI=1S/C11H13N3O/c12-6-7-14-10(11(13)15)8-9-4-2-1-3-5-9/h1-5,10,14H,7-8H2,(H2,13,15) |
| InChIKey | SZMAOUYEVDKOBQ-UHFFFAOYSA-N |
| Molecular Weight | 203.245 g/mol |
| SMILES | C(C(CC=1C=CC=CC1)NCC#N)(=O)N |