| SpectraBase Compound ID | F7xVdbu5UJR |
|---|---|
| InChI | InChI=1S/C6H12O3/c1-6-8-4-2-7-3-5-9-6/h6H,2-5H2,1H3 |
| InChIKey | GIKNJVNWABGPEE-UHFFFAOYSA-N |
| Mol Weight | 132.16 g/mol |
| Molecular Formula | C6H12O3 |
| Exact Mass | 132.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Dku1Pf9f3AP |
|---|---|
| Name | 1,3,6-Trioxocane, 2-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 132.078644243 u |
| Formula | C6H12O3 |
| InChI | InChI=1S/C6H12O3/c1-6-8-4-2-7-3-5-9-6/h6H,2-5H2,1H3 |
| InChIKey | GIKNJVNWABGPEE-UHFFFAOYSA-N |
| SMILES | CC1OCCOCCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972546 |