| SpectraBase Compound ID | BcJVzz9L6ox |
|---|---|
| InChI | InChI=1S/C12H20O3/c1-3-4-5-6-8-11(13)9-7-10-12(14)15-2/h3H,1,4-10H2,2H3 |
| InChIKey | QSASHEXIZHCJNM-UHFFFAOYSA-N |
| Mol Weight | 212.29 g/mol |
| Molecular Formula | C12H20O3 |
| Exact Mass | 212.141245 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L6wXy4C3SEL |
|---|---|
| Name | Methyl 5-oxoundec-10-enoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.141244501 u |
| Formula | C12H20O3 |
| InChI | InChI=1S/C12H20O3/c1-3-4-5-6-8-11(13)9-7-10-12(14)15-2/h3H,1,4-10H2,2H3 |
| InChIKey | QSASHEXIZHCJNM-UHFFFAOYSA-N |
| Molecular Weight | 212.289 g/mol |
| SMILES | C(=O)(OC)CCCC(=O)CCCCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.882687 |