| SpectraBase Compound ID | 6ohf2M4Qpnl |
|---|---|
| InChI | InChI=1S/C5H11NO2/c1-8-5(7)3-2-4-6/h2-4,6H2,1H3 |
| InChIKey | KVQGGLZHHFGHPU-UHFFFAOYSA-N |
| Mol Weight | 117.15 g/mol |
| Molecular Formula | C5H11NO2 |
| Exact Mass | 117.078979 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5zOzfSooLIw |
|---|---|
| Name | Methyl 4-aminobutyrate |
| 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/c1-8-5(7)3-2-4-6/h2-4,6H2,1H3 |
| InChIKey | KVQGGLZHHFGHPU-UHFFFAOYSA-N |
| Molecular Weight | 117.148 g/mol |
| SMILES | NCCCC(OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.944376 |