| SpectraBase Compound ID | 7rcH6BHT0Pq |
|---|---|
| InChI | InChI=1S/C6H13NO2/c1-4-5(7-2)6(8)9-3/h5,7H,4H2,1-3H3 |
| InChIKey | INBBIXRVEUBDRU-UHFFFAOYSA-N |
| Mol Weight | 131.17 g/mol |
| Molecular Formula | C6H13NO2 |
| Exact Mass | 131.094629 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9khasMalFLF |
|---|---|
| Name | L-2-Aminobutyric acid, N-methyl-, 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/c1-4-5(7-2)6(8)9-3/h5,7H,4H2,1-3H3 |
| InChIKey | INBBIXRVEUBDRU-UHFFFAOYSA-N |
| Molecular Weight | 131.175 g/mol |
| SMILES | CCC(C(OC)=O)NC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944154 |