| SpectraBase Compound ID | JTwedl4km2h |
|---|---|
| InChI | InChI=1S/C7H14O2/c1-3-7-5-8-6(2)4-9-7/h6-7H,3-5H2,1-2H3 |
| InChIKey | DPXGZEPGOMVZDJ-UHFFFAOYSA-N |
| Mol Weight | 130.19 g/mol |
| Molecular Formula | C7H14O2 |
| Exact Mass | 130.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9qz1JxxDJM7 |
|---|---|
| Name | 1,4-Dioxane, 2-ethyl-5-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 130.099379689 u |
| Formula | C7H14O2 |
| InChI | InChI=1S/C7H14O2/c1-3-7-5-8-6(2)4-9-7/h6-7H,3-5H2,1-2H3 |
| InChIKey | DPXGZEPGOMVZDJ-UHFFFAOYSA-N |
| Molecular Weight | 130.187 g/mol |
| SMILES | CCC1COC(CO1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.990366 |