| SpectraBase Compound ID | 2odP7jIOqNn |
|---|---|
| InChI | InChI=1S/C7H12O2/c1-5-4-8-6(2)7(3)9-5/h5H,4H2,1-3H3 |
| InChIKey | DXHJFSAGRRQOGK-UHFFFAOYSA-N |
| Mol Weight | 128.17 g/mol |
| Molecular Formula | C7H12O2 |
| Exact Mass | 128.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 69FeWF2CWbw |
|---|---|
| Name | p-Dioxin, 2,3-dihydro-2,5,6-trimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.083729624 u |
| Formula | C7H12O2 |
| InChI | InChI=1S/C7H12O2/c1-5-4-8-6(2)7(3)9-5/h5H,4H2,1-3H3 |
| InChIKey | DXHJFSAGRRQOGK-UHFFFAOYSA-N |
| SMILES | CC1=C(C)OCC(O1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954883 |