| SpectraBase Compound ID | 8zf9C5KaAB0 |
|---|---|
| InChI | InChI=1S/C7H14O2/c1-6(4-8)7(2)5-9-3/h4,6-7H,5H2,1-3H3 |
| InChIKey | PVKYMUJYQZSLNR-UHFFFAOYSA-N |
| Mol Weight | 130.19 g/mol |
| Molecular Formula | C7H14O2 |
| Exact Mass | 130.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | sVVaOGkMKR |
|---|---|
| Name | Butyraldehyde, 4-methoxy-2,3-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 130.099379689 u |
| Formula | C7H14O2 |
| InChI | InChI=1S/C7H14O2/c1-6(4-8)7(2)5-9-3/h4,6-7H,5H2,1-3H3 |
| InChIKey | PVKYMUJYQZSLNR-UHFFFAOYSA-N |
| Molecular Weight | 130.187 g/mol |
| SMILES | C(=O)C(C(COC)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984101 |