| SpectraBase Compound ID | FU8sc6UrBWs |
|---|---|
| InChI | InChI=1S/C5H11NO2.Cl/c1-2-8-5(7)3-4-6;/h2-4,6H2,1H3; |
| InChIKey | APUZOBWJFRPOES-UHFFFAOYSA-N |
| Mol Weight | 152.6 g/mol |
| Molecular Formula | C5H11ClNO2 |
| Exact Mass | 152.047831 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | I722K1dNPPb |
|---|---|
| Name | beta-Alanine ethyl ester hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.047831296 u |
| Formula | C5H11ClNO2 |
| InChI | InChI=1S/C5H11NO2.Cl/c1-2-8-5(7)3-4-6;/h2-4,6H2,1H3; |
| InChIKey | APUZOBWJFRPOES-UHFFFAOYSA-N |
| Molecular Weight | 152.601 g/mol |
| Nominal Mass | 152 u |
| SMILES | C(C)OC(CCN)=O.[Cl] |
| Spectrum/Structure Validation Score (Raman) | 0.975073 |