| SpectraBase Compound ID | ECSZPQlPrk0 |
|---|---|
| InChI | InChI=1S/C13H26O2/c1-4-6-8-12(3)9-10-13(14)15-11-7-5-2/h12H,4-11H2,1-3H3 |
| InChIKey | UKHQNVFHFJBYHL-UHFFFAOYSA-N |
| Mol Weight | 214.35 g/mol |
| Molecular Formula | C13H26O2 |
| Exact Mass | 214.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FFSuGY6KJkZ |
|---|---|
| Name | Butyl 4-methyloctanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.193280075 u |
| Formula | C13H26O2 |
| InChI | InChI=1S/C13H26O2/c1-4-6-8-12(3)9-10-13(14)15-11-7-5-2/h12H,4-11H2,1-3H3 |
| InChIKey | UKHQNVFHFJBYHL-UHFFFAOYSA-N |
| Molecular Weight | 214.349 g/mol |
| SMILES | CCCCC(CCC(OCCCC)=O)C |