| SpectraBase Compound ID | CbYkCSbST1K |
|---|---|
| InChI | InChI=1S/C11H22O2/c1-3-7-10(2)8-5-4-6-9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13) |
| InChIKey | YEHCRJVIRISVRJ-UHFFFAOYSA-N |
| Mol Weight | 186.29 g/mol |
| Molecular Formula | C11H22O2 |
| Exact Mass | 186.16198 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KPqupbcrLOW |
|---|---|
| Name | 7-Methyldecanoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.161979946 u |
| Formula | C11H22O2 |
| InChI | InChI=1S/C11H22O2/c1-3-7-10(2)8-5-4-6-9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13) |
| InChIKey | YEHCRJVIRISVRJ-UHFFFAOYSA-N |
| Molecular Weight | 186.295 g/mol |
| SMILES | C(CCCCCC(CCC)C)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908733 |