| SpectraBase Compound ID | BkFvHyjs2f2 |
|---|---|
| InChI | InChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3,6-11H2,1-2H3 |
| InChIKey | LCLXAAYDOGYFJC-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 | 1YYdXkqtsEQ |
|---|---|
| Name | Acetic acid dec-7-ynyl ester |
| 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/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3,6-11H2,1-2H3 |
| InChIKey | LCLXAAYDOGYFJC-UHFFFAOYSA-N |
| Molecular Weight | 196.290 g/mol |
| SMILES | C(#CCCCCCCOC(=O)C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921692 |