| SpectraBase Compound ID | 5ohEdkicd4r |
|---|---|
| InChI | InChI=1S/C14H30O2/c1-5-7-8-9-10-14(15-6-2)16-12-11-13(3)4/h13-14H,5-12H2,1-4H3 |
| InChIKey | ZBRSUNZCGCABAB-UHFFFAOYSA-N |
| Mol Weight | 230.39 g/mol |
| Molecular Formula | C14H30O2 |
| Exact Mass | 230.22458 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2DF3dQcAORE |
|---|---|
| Name | Heptanal ethyl isopentyl acetal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.224580204 u |
| Formula | C14H30O2 |
| InChI | InChI=1S/C14H30O2/c1-5-7-8-9-10-14(15-6-2)16-12-11-13(3)4/h13-14H,5-12H2,1-4H3 |
| InChIKey | ZBRSUNZCGCABAB-UHFFFAOYSA-N |
| Molecular Weight | 230.392 g/mol |
| SMILES | C(CCCCCC)(OCCC(C)C)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.889813 |