| SpectraBase Compound ID | FjqeaUlmctX |
|---|---|
| InChI | InChI=1S/C5H11NO2/c1-4(3-6)5(7)8-2/h4H,3,6H2,1-2H3 |
| InChIKey | BXGDNKQFNQZCLG-UHFFFAOYSA-N |
| Mol Weight | 117.15 g/mol |
| Molecular Formula | C5H11NO2 |
| Exact Mass | 117.078979 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | H1S6pKy3yIQ |
|---|---|
| Name | dl-3-Aminoisobutyric acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 117.078978596 u |
| Formula | C5H11NO2 |
| InChI | InChI=1S/C5H11NO2/c1-4(3-6)5(7)8-2/h4H,3,6H2,1-2H3 |
| InChIKey | BXGDNKQFNQZCLG-UHFFFAOYSA-N |
| Molecular Weight | 117.148 g/mol |
| SMILES | C(OC)(C(CN)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962227 |