| SpectraBase Compound ID | Es4B21uXsOA |
|---|---|
| InChI | InChI=1S/C11H22O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h7-8,11H,4-6,9-10H2,1-3H3/b8-7- |
| InChIKey | BOALWZNGHWYCRG-FPLPWBNLSA-N |
| Mol Weight | 186.29 g/mol |
| Molecular Formula | C11H22O2 |
| Exact Mass | 186.16198 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DhakG8tU7iD |
|---|---|
| Name | cis-4-Hepten-1-al diethyl acetal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.161979946 u |
| Formula | C11H22O2 |
| InChI | InChI=1S/C11H22O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h7-8,11H,4-6,9-10H2,1-3H3/b8-7- |
| InChIKey | BOALWZNGHWYCRG-FPLPWBNLSA-N |
| Molecular Weight | 186.295 g/mol |
| SMILES | CCOC(OCC)CC\C=C/CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976332 |