| SpectraBase Compound ID | AZMr7f2o4bC |
|---|---|
| InChI | InChI=1S/C16H32O3/c1-7-8-9-18-12-14(3)19-15(17)10-13(2)11-16(4,5)6/h13-14H,7-12H2,1-6H3 |
| InChIKey | NOYVLOUNQXVHIM-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 | tfFFCL4OZU |
|---|---|
| Name | 1-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/c1-7-8-9-18-12-14(3)19-15(17)10-13(2)11-16(4,5)6/h13-14H,7-12H2,1-6H3 |
| InChIKey | NOYVLOUNQXVHIM-UHFFFAOYSA-N |
| SMILES | CCCCOCC(C)OC(CC(CC(C)(C)C)C)=O |