| SpectraBase Compound ID | ESEBaPKeTLB |
|---|---|
| InChI | InChI=1S/C6H10O3/c1-5-2-8-4-6(9-5)3-7-1/h5-6H,1-4H2 |
| InChIKey | XUKMUTXYTSHEJH-UHFFFAOYSA-N |
| Mol Weight | 130.14 g/mol |
| Molecular Formula | C6H10O3 |
| Exact Mass | 130.062994 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 34RytRvRW9w |
|---|---|
| Name | 3,7,9-Trioxabicyclo[3.3.1]nonane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 130.062994179 u |
| Formula | C6H10O3 |
| InChI | InChI=1S/C6H10O3/c1-5-2-8-4-6(9-5)3-7-1/h5-6H,1-4H2 |
| InChIKey | XUKMUTXYTSHEJH-UHFFFAOYSA-N |
| SMILES | C12OC(COC2)COC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985964 |