![2-[(4R,5R)-5-hexyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde](/api/spectrum/1Bm4oX7ARBN/structure.png?h=300&w=458 "2-[(4R,5R)-5-hexyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde")
| SpectraBase Compound ID | 8S27XfFQzlT |
|---|---|
| InChI | InChI=1S/C13H24O3/c1-4-5-6-7-8-11-12(9-10-14)16-13(2,3)15-11/h10-12H,4-9H2,1-3H3/t11-,12-/m1/s1 |
| InChIKey | VAMXQNSLHYPZFM-VXGBXAGGSA-N |
| Mol Weight | 228.33 g/mol |
| Molecular Formula | C13H24O3 |
| Exact Mass | 228.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Bm4oX7ARBN |
|---|---|
| Name | 2-[(4R,5R)-5-Hexyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.172544630 u |
| Formula | C13H24O3 |
| InChI | InChI=1S/C13H24O3/c1-4-5-6-7-8-11-12(9-10-14)16-13(2,3)15-11/h10-12H,4-9H2,1-3H3/t11-,12-/m1/s1 |
| InChIKey | VAMXQNSLHYPZFM-VXGBXAGGSA-N |
| Molecular Weight | 228.332 g/mol |
| SMILES | C1(O[C@](CC=O)([C@](O1)(CCCCCC)[H])[H])(C)C |