| SpectraBase Compound ID | 8rNDUhooF79 |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-11(7-8-12-9-13-11)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3 |
| InChIKey | UWMUVCPSXOGVND-UHFFFAOYSA-N |
| Mol Weight | 178.23 g/mol |
| Molecular Formula | C11H14O2 |
| Exact Mass | 178.09938 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5vrgv74i16l |
|---|---|
| Name | 4-Methyl-4-phenyl-m-dioxane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.099379689 u |
| Formula | C11H14O2 |
| InChI | InChI=1S/C11H14O2/c1-11(7-8-12-9-13-11)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3 |
| InChIKey | UWMUVCPSXOGVND-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | C=1C(=CC=CC1)C1(OCOCC1)C |
| Spectrum/Structure Validation Score (Raman) | 0.995149 |