| SpectraBase Compound ID | KW2dESvP90x |
|---|---|
| InChI | InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8) |
| InChIKey | GCHPUFAZSONQIV-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 | 33Y8daVItAS |
|---|---|
| Name | dl-Isovaline |
| 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/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8) |
| InChIKey | GCHPUFAZSONQIV-UHFFFAOYSA-N |
| Molecular Weight | 117.148 g/mol |
| SMILES | OC(C(CC)(N)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.982926 |