| SpectraBase Compound ID | GQcKFT1ZQf3 |
|---|---|
| InChI | InChI=1S/C11H22O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-10H2,1-2H3 |
| InChIKey | WRFZKAGPPQGDDQ-UHFFFAOYSA-N |
| Mol Weight | 186.29 g/mol |
| Molecular Formula | C11H22O2 |
| Exact Mass | 186.16198 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GbEkvKiDPWr |
|---|---|
| Name | Hexanoic acid, pentyl ester |
| 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/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-10H2,1-2H3 |
| InChIKey | WRFZKAGPPQGDDQ-UHFFFAOYSA-N |
| Molecular Weight | 186.295 g/mol |
| SMILES | CCCCCC(OCCCCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.964749 |