| SpectraBase Compound ID | Ccuf8IZ8AOb |
|---|---|
| InChI | InChI=1S/C7H14O2/c1-4-7(8-5-2)9-6-3/h4,7H,1,5-6H2,2-3H3 |
| InChIKey | MCIPQLOKVXSHTD-UHFFFAOYSA-N |
| Mol Weight | 130.19 g/mol |
| Molecular Formula | C7H14O2 |
| Exact Mass | 130.09938 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6q7ENU1F5ps |
|---|---|
| Name | Acrolein, diethyl acetal |
| 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/c1-4-7(8-5-2)9-6-3/h4,7H,1,5-6H2,2-3H3 |
| InChIKey | MCIPQLOKVXSHTD-UHFFFAOYSA-N |
| Molecular Weight | 130.187 g/mol |
| SMILES | C=CC(OCC)OCC |
| Spectrum/Structure Validation Score (Raman) | 0.939538 |