| SpectraBase Compound ID | 6BAt6a7yWOI |
|---|---|
| InChI | InChI=1S/C13H26O3/c1-4-6-7-8-9-13(14)16-12(3)11-15-10-5-2/h12H,4-11H2,1-3H3 |
| InChIKey | UHUQIUNOGWVQGU-UHFFFAOYSA-N |
| Mol Weight | 230.35 g/mol |
| Molecular Formula | C13H26O3 |
| Exact Mass | 230.188195 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CRg8AxBATq3 |
|---|---|
| Name | 1-Propoxypropan-2-yl heptanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.188194694 u |
| Formula | C13H26O3 |
| InChI | InChI=1S/C13H26O3/c1-4-6-7-8-9-13(14)16-12(3)11-15-10-5-2/h12H,4-11H2,1-3H3 |
| InChIKey | UHUQIUNOGWVQGU-UHFFFAOYSA-N |
| Molecular Weight | 230.348 g/mol |
| SMILES | C(C)(COCCC)OC(CCCCCC)=O |