| SpectraBase Compound ID | PbBbaH6Kok |
|---|---|
| InChI | InChI=1S/C10H13NO2/c11-7-6-10(12)13-8-9-4-2-1-3-5-9/h1-5H,6-8,11H2 |
| InChIKey | CANCPUBPPUIWPX-UHFFFAOYSA-N |
| Mol Weight | 179.22 g/mol |
| Molecular Formula | C10H13NO2 |
| Exact Mass | 179.094629 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9GQTrrJ1v5s |
|---|---|
| Name | Benzyl 3-aminopropanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.094628661 u |
| Formula | C10H13NO2 |
| InChI | InChI=1S/C10H13NO2/c11-7-6-10(12)13-8-9-4-2-1-3-5-9/h1-5H,6-8,11H2 |
| InChIKey | CANCPUBPPUIWPX-UHFFFAOYSA-N |
| Molecular Weight | 179.219 g/mol |
| SMILES | C(N)CC(=O)OCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937009 |