| SpectraBase Compound ID | JczDHc0GhH9 |
|---|---|
| InChI | InChI=1S/C12H26O2/c1-6-7-8-13-12(11(4)5)14-9-10(2)3/h10-12H,6-9H2,1-5H3 |
| InChIKey | LFOMSOLOQCOYQJ-UHFFFAOYSA-N |
| Mol Weight | 202.34 g/mol |
| Molecular Formula | C12H26O2 |
| Exact Mass | 202.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9xx4IkL4Lt |
|---|---|
| Name | Butyl isobutyl isobutal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.193280075 u |
| Formula | C12H26O2 |
| InChI | InChI=1S/C12H26O2/c1-6-7-8-13-12(11(4)5)14-9-10(2)3/h10-12H,6-9H2,1-5H3 |
| InChIKey | LFOMSOLOQCOYQJ-UHFFFAOYSA-N |
| Molecular Weight | 202.338 g/mol |
| SMILES | C(OCC(C)C)(OCCCC)C(C)C |