| SpectraBase Compound ID | HGeMdbZGQ4o |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-2-3-4-6-9-12-10-7-5-8-11/h2-4,6,8H,5,7,9-10H2,1H3/b3-2+,6-4+ |
| InChIKey | VXZKAJGZIVALLP-WJPDYIDTSA-N |
| Mol Weight | 168.24 g/mol |
| Molecular Formula | C10H16O2 |
| Exact Mass | 168.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1E1rYR3JD5H |
|---|---|
| Name | 4-((2E,4E)-Hexa-2,4-dienyloxy)butanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.115029753 u |
| Formula | C10H16O2 |
| InChI | InChI=1S/C10H16O2/c1-2-3-4-6-9-12-10-7-5-8-11/h2-4,6,8H,5,7,9-10H2,1H3/b3-2+,6-4+ |
| InChIKey | VXZKAJGZIVALLP-WJPDYIDTSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | C(CCCOC\C=C\C=C\C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92322 |