| SpectraBase Compound ID | 4bNbnzVFGOG |
|---|---|
| InChI | InChI=1S/C7H12O3/c1-6(8)7(2)3-9-5-10-4-7/h3-5H2,1-2H3 |
| InChIKey | UHJLFCXOYRLBEO-UHFFFAOYSA-N |
| Mol Weight | 144.17 g/mol |
| Molecular Formula | C7H12O3 |
| Exact Mass | 144.078644 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LMKpA3q6rgW |
|---|---|
| Name | 5-Acetyl-5-methyl-1,3-dioxane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.078644243 u |
| Formula | C7H12O3 |
| InChI | InChI=1S/C7H12O3/c1-6(8)7(2)3-9-5-10-4-7/h3-5H2,1-2H3 |
| InChIKey | UHJLFCXOYRLBEO-UHFFFAOYSA-N |
| SMILES | C1OCOCC1(C)C(=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.920119 |