| SpectraBase Compound ID | KZS1jBWlu9a |
|---|---|
| InChI | InChI=1S/C6H13NO2/c1-5(7(2)3)6(8)9-4/h5H,1-4H3 |
| InChIKey | YQALCVILRBWLNX-UHFFFAOYSA-N |
| Mol Weight | 131.17 g/mol |
| Molecular Formula | C6H13NO2 |
| Exact Mass | 131.094629 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5lkzfwHSzqO |
|---|---|
| Name | (S)-N,N-Dimethylalanine, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 131.094628661 u |
| Formula | C6H13NO2 |
| InChI | InChI=1S/C6H13NO2/c1-5(7(2)3)6(8)9-4/h5H,1-4H3 |
| InChIKey | YQALCVILRBWLNX-UHFFFAOYSA-N |
| Molecular Weight | 131.175 g/mol |
| SMILES | CC(C(OC)=O)N(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.971751 |