| SpectraBase Compound ID | EyiXlO6b1OW |
|---|---|
| InChI | InChI=1S/C7H15NO2/c1-6(2)8-5-4-7(9)10-3/h6,8H,4-5H2,1-3H3 |
| InChIKey | CDMLINZNKOVCCN-UHFFFAOYSA-N |
| Mol Weight | 145.2 g/mol |
| Molecular Formula | C7H15NO2 |
| Exact Mass | 145.110279 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FfB7WxH7E94 |
|---|---|
| Name | beta-Alanine, N-(1-methylethyl)-, methyl ester; methyl 3-(isopropylamino)propionate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 145.110278725 u |
| Formula | C7H15NO2 |
| InChI | InChI=1S/C7H15NO2/c1-6(2)8-5-4-7(9)10-3/h6,8H,4-5H2,1-3H3 |
| InChIKey | CDMLINZNKOVCCN-UHFFFAOYSA-N |
| SMILES | N(C(C)C)CCC(OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.970645 |