| SpectraBase Compound ID | KID8ylhLbMY |
|---|---|
| InChI | InChI=1S/C12H20O2/c1-3-4-6-11-7-5-8-12(9-11)14-10(2)13/h9,11H,3-8H2,1-2H3 |
| InChIKey | TUSJMXUNSGFTPC-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 | 6KpWW6LUTPU |
|---|---|
| Name | 1-Cyclohexen-1-ol, 3-butyl-, 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/c1-3-4-6-11-7-5-8-12(9-11)14-10(2)13/h9,11H,3-8H2,1-2H3 |
| InChIKey | TUSJMXUNSGFTPC-UHFFFAOYSA-N |
| Molecular Weight | 196.290 g/mol |
| SMILES | C1(=CC(CCCC)CCC1)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.891166 |