| SpectraBase Compound ID | C7PeMGWMgg6 |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-10(2)6-3-4-7-11-8-5-9-12(13)14-11/h10-11H,3-9H2,1-2H3 |
| InChIKey | HORZJHMTLLMPDU-UHFFFAOYSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C12H22O2 |
| Exact Mass | 198.16198 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B8uMl8SpbKx |
|---|---|
| Name | 10-Methylundecan-5-olide |
| 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/c1-10(2)6-3-4-7-11-8-5-9-12(13)14-11/h10-11H,3-9H2,1-2H3 |
| InChIKey | HORZJHMTLLMPDU-UHFFFAOYSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | CC(C)CCCCC1CCCC(O1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981827 |