| SpectraBase Compound ID | 6NztNeJx2XT |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3 |
| InChIKey | WGPCZPLRVAWXPW-UHFFFAOYSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C12H22O2 |
| Exact Mass | 198.16198 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7B6RYGSoAGs |
|---|---|
| Name | Gamma-dodecalactone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.161979946 u |
| Formula | C12H22O2 |
| InChI | InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3 |
| InChIKey | WGPCZPLRVAWXPW-UHFFFAOYSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | C1(CCC(CCCCCCCC)O1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.975686 |