| SpectraBase Compound ID | 2rSLThPtEnr |
|---|---|
| InChI | InChI=1S/C13H13NO2/c15-13(16)8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,14H,8-9H2,(H,15,16) |
| InChIKey | WAALMSYGFMMLHS-UHFFFAOYSA-N |
| Mol Weight | 215.25 g/mol |
| Molecular Formula | C13H13NO2 |
| Exact Mass | 215.094629 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1rMrZnJjO4E |
|---|---|
| Name | N-1-Naphthyl-beta-alanine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.094628661 u |
| Formula | C13H13NO2 |
| InChI | InChI=1S/C13H13NO2/c15-13(16)8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,14H,8-9H2,(H,15,16) |
| InChIKey | WAALMSYGFMMLHS-UHFFFAOYSA-N |
| Molecular Weight | 215.252 g/mol |
| SMILES | OC(CCNC=1C=2C=CC=CC2C=CC1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.945147 |