| SpectraBase Compound ID | IFXDHvHJxe8 |
|---|---|
| InChI | InChI=1S/C9H19NO2/c1-4-10(5-2)8-7-9(11)12-6-3/h4-8H2,1-3H3 |
| InChIKey | QDISKADULUYVBM-UHFFFAOYSA-N |
| Mol Weight | 173.26 g/mol |
| Molecular Formula | C9H19NO2 |
| Exact Mass | 173.141579 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CbfWJzzHSCt |
|---|---|
| Name | N,N-Diethyl-beta-alanine, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.141578854 u |
| Formula | C9H19NO2 |
| InChI | InChI=1S/C9H19NO2/c1-4-10(5-2)8-7-9(11)12-6-3/h4-8H2,1-3H3 |
| InChIKey | QDISKADULUYVBM-UHFFFAOYSA-N |
| Molecular Weight | 173.256 g/mol |
| SMILES | CCN(CC)CCC(=O)OCC |
| Spectrum/Structure Validation Score (Raman) | 0.981797 |