| SpectraBase Compound ID | H0sYDSBozSY |
|---|---|
| InChI | InChI=1S/C12H22O/c1-5-8-9-13-11(4)10-12(6-2)7-3/h10H,4-9H2,1-3H3 |
| InChIKey | YRCWCOACUZDNNX-UHFFFAOYSA-N |
| Mol Weight | 182.31 g/mol |
| Molecular Formula | C12H22O |
| Exact Mass | 182.167065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CiqIyVZhEET |
|---|---|
| Name | 2-Butoxy-4-ethyl-1,3-hexadiene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.167065327 u |
| Formula | C12H22O |
| InChI | InChI=1S/C12H22O/c1-5-8-9-13-11(4)10-12(6-2)7-3/h10H,4-9H2,1-3H3 |
| InChIKey | YRCWCOACUZDNNX-UHFFFAOYSA-N |
| Molecular Weight | 182.307 g/mol |
| SMILES | C(C(=C)OCCCC)=C(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.883988 |