| SpectraBase Compound ID | 4uUBwBORSJ3 |
|---|---|
| InChI | InChI=1S/C15H30O3/c1-7-8-17-11-13(3)18-14(16)9-12(2)10-15(4,5)6/h12-13H,7-11H2,1-6H3 |
| InChIKey | UWUZSZNNQJCARS-UHFFFAOYSA-N |
| Mol Weight | 258.4 g/mol |
| Molecular Formula | C15H30O3 |
| Exact Mass | 258.219495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 742RkVeEYaK |
|---|---|
| Name | 1-Propoxypropan-2-yl 3,5,5-trimethylhexanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.219494823 u |
| Formula | C15H30O3 |
| InChI | InChI=1S/C15H30O3/c1-7-8-17-11-13(3)18-14(16)9-12(2)10-15(4,5)6/h12-13H,7-11H2,1-6H3 |
| InChIKey | UWUZSZNNQJCARS-UHFFFAOYSA-N |
| Molecular Weight | 258.402 g/mol |
| SMILES | C(C)(COCCC)OC(CC(CC(C)(C)C)C)=O |