| SpectraBase Compound ID | ACRSHFEc0uN |
|---|---|
| InChI | InChI=1S/C14H30O2/c1-6-7-14(15-10-8-12(2)3)16-11-9-13(4)5/h12-14H,6-11H2,1-5H3 |
| InChIKey | KWZAGPSMWWHQMR-UHFFFAOYSA-N |
| Mol Weight | 230.39 g/mol |
| Molecular Formula | C14H30O2 |
| Exact Mass | 230.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BEBq601vjFA |
|---|---|
| Name | Butanal diisopentyl acetal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.224580204 u |
| Formula | C14H30O2 |
| InChI | InChI=1S/C14H30O2/c1-6-7-14(15-10-8-12(2)3)16-11-9-13(4)5/h12-14H,6-11H2,1-5H3 |
| InChIKey | KWZAGPSMWWHQMR-UHFFFAOYSA-N |
| Molecular Weight | 230.392 g/mol |
| SMILES | C(CCC)(OCCC(C)C)OCCC(C)C |