| SpectraBase Compound ID | 5ggeHBPhGxP |
|---|---|
| InChI | InChI=1S/C16H32O3/c1-12(10-15(3,4)5)9-14(17)19-13(2)11-18-16(6,7)8/h12-13H,9-11H2,1-8H3 |
| InChIKey | WOBCBGRPPLPSMU-UHFFFAOYSA-N |
| Mol Weight | 272.4 g/mol |
| Molecular Formula | C16H32O3 |
| Exact Mass | 272.235145 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 90AIMQxoXv4 |
|---|---|
| Name | 1-Tert-butoxypropan-2-yl 3,5,5-trimethylhexanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.235144887 u |
| Formula | C16H32O3 |
| InChI | InChI=1S/C16H32O3/c1-12(10-15(3,4)5)9-14(17)19-13(2)11-18-16(6,7)8/h12-13H,9-11H2,1-8H3 |
| InChIKey | WOBCBGRPPLPSMU-UHFFFAOYSA-N |
| SMILES | CC(C)(C)OCC(OC(CC(CC(C)(C)C)C)=O)C |