| SpectraBase Compound ID | HgoUCcRFhAd |
|---|---|
| InChI | InChI=1S/C12H22O3/c1-11(13)9-7-5-3-2-4-6-8-10-12(14)15/h2-10H2,1H3,(H,14,15) |
| InChIKey | OTELGGYNGCBJGP-UHFFFAOYSA-N |
| Mol Weight | 214.3 g/mol |
| Molecular Formula | C12H22O3 |
| Exact Mass | 214.156895 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 52V6yShbaYm |
|---|---|
| Name | 11-Oxododecanoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.156894565 u |
| Formula | C12H22O3 |
| InChI | InChI=1S/C12H22O3/c1-11(13)9-7-5-3-2-4-6-8-10-12(14)15/h2-10H2,1H3,(H,14,15) |
| InChIKey | OTELGGYNGCBJGP-UHFFFAOYSA-N |
| Molecular Weight | 214.305 g/mol |
| SMILES | CC(CCCCCCCCCC(O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.85237 |