| SpectraBase Compound ID | AUsz2kwiDP5 |
|---|---|
| InChI | InChI=1S/C12H20O2/c1-9(2)12-6-4-11(5-7-12)8-14-10(3)13/h11-12H,1,4-8H2,2-3H3 |
| InChIKey | LYOSFWKPXPBYIG-UHFFFAOYSA-N |
| Mol Weight | 196.29 g/mol |
| Molecular Formula | C12H20O2 |
| Exact Mass | 196.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J13BI7DQVWS |
|---|---|
| Name | Shisool acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.146329882 u |
| Formula | C12H20O2 |
| InChI | InChI=1S/C12H20O2/c1-9(2)12-6-4-11(5-7-12)8-14-10(3)13/h11-12H,1,4-8H2,2-3H3 |
| InChIKey | LYOSFWKPXPBYIG-UHFFFAOYSA-N |
| Molecular Weight | 196.290 g/mol |
| SMILES | CC(C1CCC(CC1)COC(=O)C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.845146 |