| SpectraBase Compound ID | 5tjj5z9o9Be |
|---|---|
| InChI | InChI=1S/C7H12O3/c1-7(2)9-5-6(10-7)3-4-8/h4,6H,3,5H2,1-2H3/t6-/m0/s1 |
| InChIKey | BASUVKNKERZYGZ-LURJTMIESA-N |
| Mol Weight | 144.17 g/mol |
| Molecular Formula | C7H12O3 |
| Exact Mass | 144.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JdeN6yznKgV |
|---|---|
| Name | (rs)-2-(2',2'-Dimethyl-1',3'-dioxolan-4'-yl)-ethanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.078644243 u |
| Formula | C7H12O3 |
| InChI | InChI=1S/C7H12O3/c1-7(2)9-5-6(10-7)3-4-8/h4,6H,3,5H2,1-2H3/t6-/m0/s1 |
| InChIKey | BASUVKNKERZYGZ-LURJTMIESA-N |
| SMILES | C(=O)C[C@]1(COC(C)(C)O1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966473 |