| SpectraBase Compound ID | 16ngwCS5zZi |
|---|---|
| InChI | InChI=1S/C11H18O2/c1-6-8-9(7-2)13-10(12)11(3,4)5/h9H,7H2,1-5H3 |
| InChIKey | OHXKMFWHFLPFCX-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 | DQuxOBjTMx9 |
|---|---|
| Name | 2,2-Dimethylpropanoic acid, hex-4-yn-3-yl ester |
| 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/c1-6-8-9(7-2)13-10(12)11(3,4)5/h9H,7H2,1-5H3 |
| InChIKey | OHXKMFWHFLPFCX-UHFFFAOYSA-N |
| Molecular Weight | 182.263 g/mol |
| SMILES | C(C(=O)OC(CC)C#CC)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.818319 |