![Bicyclo[2.2.2]octan-1-ol, 4-methyl-, acetate](/api/spectrum/6XD00MXLFZm/structure.png?h=300&w=458 "Bicyclo[2.2.2]octan-1-ol, 4-methyl-, acetate")
| SpectraBase Compound ID | AWToghG53jw |
|---|---|
| InChI | InChI=1S/C11H18O2/c1-9(12)13-11-6-3-10(2,4-7-11)5-8-11/h3-8H2,1-2H3 |
| InChIKey | XYJNTAUKYSUAKI-UHFFFAOYSA-N |
| Mol Weight | 182.26 g/mol |
| Molecular Formula | C11H18O2 |
| Exact Mass | 182.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6XD00MXLFZm |
|---|---|
| Name | Bicyclo[2.2.2]octan-1-ol, 4-methyl-, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.130679818 u |
| Formula | C11H18O2 |
| InChI | InChI=1S/C11H18O2/c1-9(12)13-11-6-3-10(2,4-7-11)5-8-11/h3-8H2,1-2H3 |
| InChIKey | XYJNTAUKYSUAKI-UHFFFAOYSA-N |
| Molecular Weight | 182.263 g/mol |
| SMILES | C(OC12CCC(CC2)(CC1)C)(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900976 |