| SpectraBase Compound ID | E9ZJI0DBCCA |
|---|---|
| InChI | InChI=1S/C13H28O2/c1-4-7-9-11-13(14-6-3)15-12-10-8-5-2/h13H,4-12H2,1-3H3 |
| InChIKey | QPXFDYQXBUGQMT-UHFFFAOYSA-N |
| Mol Weight | 216.36 g/mol |
| Molecular Formula | C13H28O2 |
| Exact Mass | 216.20893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LH9eAJyszU8 |
|---|---|
| Name | Hexanal ethyl pentyl acetal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.208930140 u |
| Formula | C13H28O2 |
| InChI | InChI=1S/C13H28O2/c1-4-7-9-11-13(14-6-3)15-12-10-8-5-2/h13H,4-12H2,1-3H3 |
| InChIKey | QPXFDYQXBUGQMT-UHFFFAOYSA-N |
| Molecular Weight | 216.365 g/mol |
| SMILES | C(CCCCC)(OCCCCC)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971342 |