| SpectraBase Compound ID | HUxAyK8DsTx |
|---|---|
| InChI | InChI=1S/C10H16O3/c11-7-5-3-1-2-4-6-10-12-8-9-13-10/h1-2,7,10H,3-6,8-9H2/b2-1- |
| InChIKey | LCQBQAXIFUXYOH-UPHRSURJSA-N |
| Mol Weight | 184.23 g/mol |
| Molecular Formula | C10H16O3 |
| Exact Mass | 184.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JMnYKPz2hjW |
|---|---|
| Name | 4-Heptenal, 7-(1,3-dioxolan-2-yl)-, (Z)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.109944372 u |
| Formula | C10H16O3 |
| InChI | InChI=1S/C10H16O3/c11-7-5-3-1-2-4-6-10-12-8-9-13-10/h1-2,7,10H,3-6,8-9H2/b2-1- |
| InChIKey | LCQBQAXIFUXYOH-UPHRSURJSA-N |
| Molecular Weight | 184.235 g/mol |
| SMILES | C1(OCCO1)CC\C=C/CCC=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957296 |