| SpectraBase Compound ID | FLzLOupNHNQ |
|---|---|
| InChI | InChI=1S/C10H13NO2/c12-10(13)6-7-11-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,12,13) |
| InChIKey | QRDUQWYMGXZIKM-UHFFFAOYSA-N |
| Mol Weight | 179.22 g/mol |
| Molecular Formula | C10H13NO2 |
| Exact Mass | 179.094629 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1SDpcf9aiqm |
|---|---|
| Name | N-Benzyl-beta-alanine |
| 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/c12-10(13)6-7-11-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,12,13) |
| InChIKey | QRDUQWYMGXZIKM-UHFFFAOYSA-N |
| SMILES | N(CCC(O)=O)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.970714 |