| SpectraBase Compound ID | LqvkiW3PATh |
|---|---|
| InChI | InChI=1S/C12H15N3O3/c1-8(16)15-10(11(13)17)12(18)14-7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H2,13,17)(H,14,18)(H,15,16) |
| InChIKey | NYVDDTHUBGAATN-UHFFFAOYSA-N |
| Mol Weight | 249.27 g/mol |
| Molecular Formula | C12H15N3O3 |
| Exact Mass | 249.111341 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5A4GxZdBJoK |
|---|---|
| Name | 2-Acetamido-N'-(phenylmethyl)propanediamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.111341352 u |
| Formula | C12H15N3O3 |
| InChI | InChI=1S/C12H15N3O3/c1-8(16)15-10(11(13)17)12(18)14-7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H2,13,17)(H,14,18)(H,15,16) |
| InChIKey | NYVDDTHUBGAATN-UHFFFAOYSA-N |
| Molecular Weight | 249.270 g/mol |
| SMILES | C(C(C(=O)N)NC(C)=O)(=O)NCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.904711 |