| SpectraBase Compound ID | AeOFZJmoP0m |
|---|---|
| InChI | InChI=1S/C6H12O/c1-5(2)6(3)4-7/h4-6H,1-3H3 |
| InChIKey | AKUUEDVRXOZTBF-UHFFFAOYSA-N |
| Mol Weight | 100.16 g/mol |
| Molecular Formula | C6H12O |
| Exact Mass | 100.088815 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | IMxi14vrs9r |
|---|---|
| Name | 2,3-Dimethyl-1-butanal, (2S)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 100.088815005 u |
| Formula | C6H12O |
| InChI | InChI=1S/C6H12O/c1-5(2)6(3)4-7/h4-6H,1-3H3 |
| InChIKey | AKUUEDVRXOZTBF-UHFFFAOYSA-N |
| Molecular Weight | 100.161 g/mol |
| SMILES | C(C(C(C)C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.923871 |