| SpectraBase Compound ID | Cbt9A7a2gJ5 |
|---|---|
| InChI | InChI=1S/C15H32O2/c1-4-7-9-11-13-16-15(6-3)17-14-12-10-8-5-2/h15H,4-14H2,1-3H3 |
| InChIKey | GAGIWYOKONINOF-UHFFFAOYSA-N |
| Mol Weight | 244.4 g/mol |
| Molecular Formula | C15H32O2 |
| Exact Mass | 244.24023 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9cCW2xJRmGs |
|---|---|
| Name | Propanal dihexyl acetal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.240230268 u |
| Formula | C15H32O2 |
| InChI | InChI=1S/C15H32O2/c1-4-7-9-11-13-16-15(6-3)17-14-12-10-8-5-2/h15H,4-14H2,1-3H3 |
| InChIKey | GAGIWYOKONINOF-UHFFFAOYSA-N |
| Molecular Weight | 244.419 g/mol |
| SMILES | C(CC)(OCCCCCC)OCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.907229 |