![3,6,8-Trioxabicyclo[3.2.1]octane, 5-methyl-](/api/spectrum/Gkbdgp46Ity/structure.png?h=300&w=458 "3,6,8-Trioxabicyclo[3.2.1]octane, 5-methyl-")
| SpectraBase Compound ID | 3jPPHuB8LLQ |
|---|---|
| InChI | InChI=1S/C6H10O3/c1-6-4-7-2-5(9-6)3-8-6/h5H,2-4H2,1H3 |
| InChIKey | ZYYRPZUNVFRMSX-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 | Gkbdgp46Ity |
|---|---|
| Name | 3,6,8-Trioxabicyclo[3.2.1]octane, 5-methyl- |
| 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/c1-6-4-7-2-5(9-6)3-8-6/h5H,2-4H2,1H3 |
| InChIKey | ZYYRPZUNVFRMSX-UHFFFAOYSA-N |
| SMILES | C12(OC(CO2)COC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.99157 |