| SpectraBase Compound ID | FkhrqoBkmex |
|---|---|
| InChI | InChI=1S/C8H17NO2/c1-6(2)4-9-5-7(3)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11) |
| InChIKey | GWNFBOIZEXIMKA-UHFFFAOYSA-N |
| Mol Weight | 159.23 g/mol |
| Molecular Formula | C8H17NO2 |
| Exact Mass | 159.125929 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 17hCEiiIo1q |
|---|---|
| Name | N-Isobutyl-2-methyl-beta-alanine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.125928789 u |
| Formula | C8H17NO2 |
| InChI | InChI=1S/C8H17NO2/c1-6(2)4-9-5-7(3)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11) |
| InChIKey | GWNFBOIZEXIMKA-UHFFFAOYSA-N |
| Molecular Weight | 159.229 g/mol |
| SMILES | N(CC(C)C)CC(C(O)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.986984 |