| SpectraBase Compound ID | 94wg6zOoyB1 |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-2-5-10(6-3-1)9-11-12-7-4-8-13-11/h1-3,5-6,11H,4,7-9H2 |
| InChIKey | OYXWNUNPFXKSEM-UHFFFAOYSA-N |
| Mol Weight | 178.23 g/mol |
| Molecular Formula | C11H14O2 |
| Exact Mass | 178.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 80W1jYdNI7l |
|---|---|
| Name | 1,3-Dioxane, 2-(phenylmethyl)- |
| 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/c1-2-5-10(6-3-1)9-11-12-7-4-8-13-11/h1-3,5-6,11H,4,7-9H2 |
| InChIKey | OYXWNUNPFXKSEM-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | C(C1OCCCO1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946971 |