| SpectraBase Compound ID | XjnDxJu73V |
|---|---|
| InChI | InChI=1S/C7H14O3/c1-2-7(3-8)4-9-6-10-5-7/h8H,2-6H2,1H3 |
| InChIKey | BGFBWRWYROQISE-UHFFFAOYSA-N |
| Mol Weight | 146.19 g/mol |
| Molecular Formula | C7H14O3 |
| Exact Mass | 146.094294 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 697pr09Da1M |
|---|---|
| Name | 5-Ethyl-1,3-dioxane-5-methanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.094294308 u |
| Formula | C7H14O3 |
| InChI | InChI=1S/C7H14O3/c1-2-7(3-8)4-9-6-10-5-7/h8H,2-6H2,1H3 |
| InChIKey | BGFBWRWYROQISE-UHFFFAOYSA-N |
| Molecular Weight | 146.186 g/mol |
| SMILES | C(C)C1(COCOC1)CO |
| Spectrum/Structure Validation Score (Raman) | 0.857942 |