| SpectraBase Compound ID | 2TxHM0W7ZW3 |
|---|---|
| InChI | InChI=1S/C11H20O2/c1-8(2)7-10(11(4,5)6)13-9(3)12/h7,10H,1-6H3 |
| InChIKey | FDNQTMDEYHTADN-UHFFFAOYSA-N |
| Mol Weight | 184.28 g/mol |
| Molecular Formula | C11H20O2 |
| Exact Mass | 184.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5AHuf6N9FmH |
|---|---|
| Name | 4-Acetoxy-2,5,5-tri-methyl-2-hexene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.146329882 u |
| Formula | C11H20O2 |
| InChI | InChI=1S/C11H20O2/c1-8(2)7-10(11(4,5)6)13-9(3)12/h7,10H,1-6H3 |
| InChIKey | FDNQTMDEYHTADN-UHFFFAOYSA-N |
| Molecular Weight | 184.279 g/mol |
| SMILES | CC(=CC(C(C)(C)C)OC(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.866531 |