| SpectraBase Compound ID | gH3fx188Hx |
|---|---|
| InChI | InChI=1S/C12H20O3/c1-2-3-4-5-6-7-8-9-10-15-11-12(13)14/h2-7,10-11H2,1H3,(H,13,14) |
| InChIKey | AQCLACBLGMKZGB-UHFFFAOYSA-N |
| Mol Weight | 212.29 g/mol |
| Molecular Formula | C12H20O3 |
| Exact Mass | 212.141245 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 96zEsE7dbBq |
|---|---|
| Name | 2-dec-2-Ynoxyacetic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.141244501 u |
| Formula | C12H20O3 |
| InChI | InChI=1S/C12H20O3/c1-2-3-4-5-6-7-8-9-10-15-11-12(13)14/h2-7,10-11H2,1H3,(H,13,14) |
| InChIKey | AQCLACBLGMKZGB-UHFFFAOYSA-N |
| Molecular Weight | 212.289 g/mol |
| SMILES | C(#CCCCCCCC)COCC(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.870924 |