| SpectraBase Compound ID | FpjOysD7BNg |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h9-10H,3-8,11H2,1-2H3/b10-9+ |
| InChIKey | UXEZTQUHDSYCQP-MDZDMXLPSA-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 | 5zRsbO02ZzT |
|---|---|
| Name | Methyl-3-undecenoate |
| 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/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h9-10H,3-8,11H2,1-2H3/b10-9+ |
| InChIKey | UXEZTQUHDSYCQP-MDZDMXLPSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | COC(=O)C\C=C\CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.857668 |