| SpectraBase Compound ID | 9PBjofNnzYK |
|---|---|
| InChI | InChI=1S/C14H28O3/c1-6-7-8-9-10-13(15)17-12(2)11-16-14(3,4)5/h12H,6-11H2,1-5H3 |
| InChIKey | AGSMZEGHWJTFNH-UHFFFAOYSA-N |
| Mol Weight | 244.37 g/mol |
| Molecular Formula | C14H28O3 |
| Exact Mass | 244.203845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9bGV8NMdrLs |
|---|---|
| Name | 1-Tert-butoxypropan-2-yl heptanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.203844759 u |
| Formula | C14H28O3 |
| InChI | InChI=1S/C14H28O3/c1-6-7-8-9-10-13(15)17-12(2)11-16-14(3,4)5/h12H,6-11H2,1-5H3 |
| InChIKey | AGSMZEGHWJTFNH-UHFFFAOYSA-N |
| Molecular Weight | 244.375 g/mol |
| SMILES | CC(C)(C)OCC(OC(=O)CCCCCC)C |