| SpectraBase Compound ID | 9DeP7nEWWdH |
|---|---|
| InChI | InChI=1S/C12H24O2/c1-6-8-9-10(7-2)11(13)14-12(3,4)5/h10H,6-9H2,1-5H3 |
| InChIKey | UWNNZXDNLPNGQJ-UHFFFAOYSA-N |
| Mol Weight | 200.32 g/mol |
| Molecular Formula | C12H24O2 |
| Exact Mass | 200.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4wqVLzEC17H |
|---|---|
| Name | Hexanoic acid, 2-ethyl-, 1,1-dimethylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.177630011 u |
| Formula | C12H24O2 |
| InChI | InChI=1S/C12H24O2/c1-6-8-9-10(7-2)11(13)14-12(3,4)5/h10H,6-9H2,1-5H3 |
| InChIKey | UWNNZXDNLPNGQJ-UHFFFAOYSA-N |
| Molecular Weight | 200.322 g/mol |
| SMILES | CCCCC(CC)C(=O)OC(C)(C)C |