| SpectraBase Compound ID | 8Iu4XmA1cix |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-5-9(4)8-10(11-6-2)12-7-3/h10H,1,6-8H2,2-4H3 |
| InChIKey | PNTLNEVNUXQEBJ-UHFFFAOYSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C10H18O2 |
| Exact Mass | 170.13068 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8B6x8Ke8dfx |
|---|---|
| Name | 3-Methyl-3,4-pentadienal, diethyl acetal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.130679818 u |
| Formula | C10H18O2 |
| InChI | InChI=1S/C10H18O2/c1-5-9(4)8-10(11-6-2)12-7-3/h10H,1,6-8H2,2-4H3 |
| InChIKey | PNTLNEVNUXQEBJ-UHFFFAOYSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | C=C=C(CC(OCC)OCC)C |
| Spectrum/Structure Validation Score (Raman) | 0.943149 |