| SpectraBase Compound ID | AReHDRVJHzx |
|---|---|
| InChI | InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h7-8,10H,4-6,9H2,1-3H3/b8-7+ |
| InChIKey | SXJKRFLZGRFPBD-BQYQJAHWSA-N |
| Mol Weight | 184.28 g/mol |
| Molecular Formula | C11H20O2 |
| Exact Mass | 184.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gsmdw6X8UeO |
|---|---|
| Name | Trans-2-hexenyl 2-methylbutyrate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.146329882 u |
| Formula | C11H20O2 |
| InChI | InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h7-8,10H,4-6,9H2,1-3H3/b8-7+ |
| InChIKey | SXJKRFLZGRFPBD-BQYQJAHWSA-N |
| Molecular Weight | 184.279 g/mol |
| SMILES | C(C(CC)C)(=O)OC\C=C\CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.989305 |