![3-Acetoxybicyclo[4.4.0]decan-9-ol](/api/spectrum/DCJlJIfAMYl/structure.png?h=300&w=458 "3-Acetoxybicyclo[4.4.0]decan-9-ol")
| SpectraBase Compound ID | 7gC66wmcajb |
|---|---|
| InChI | InChI=1S/C12H20O3/c1-8(13)15-12-5-3-9-2-4-11(14)6-10(9)7-12/h9-12,14H,2-7H2,1H3 |
| InChIKey | QBOCFNZJLJTKCC-UHFFFAOYSA-N |
| Mol Weight | 212.29 g/mol |
| Molecular Formula | C12H20O3 |
| Exact Mass | 212.141245 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DCJlJIfAMYl |
|---|---|
| Name | 3-Acetoxybicyclo[4.4.0]decan-9-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.141244501 u |
| Formula | C12H20O3 |
| InChI | InChI=1S/C12H20O3/c1-8(13)15-12-5-3-9-2-4-11(14)6-10(9)7-12/h9-12,14H,2-7H2,1H3 |
| InChIKey | QBOCFNZJLJTKCC-UHFFFAOYSA-N |
| Molecular Weight | 212.289 g/mol |
| SMILES | C12C(CCC(OC(=O)C)C2)CCC(C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.889054 |