| SpectraBase Compound ID | BINJnTF3hSJ |
|---|---|
| InChI | InChI=1S/C14H26O2/c1-11(2)7-8-16-13(15)9-12(3)10-14(4,5)6/h7,12H,8-10H2,1-6H3 |
| InChIKey | HVBJKUSOHAZWLX-UHFFFAOYSA-N |
| Mol Weight | 226.36 g/mol |
| Molecular Formula | C14H26O2 |
| Exact Mass | 226.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GbmZ4EtHhT8 |
|---|---|
| Name | Hexanoic acid, 3,5,5-trimethyl-, 3-methylbut-2-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.193280075 u |
| Formula | C14H26O2 |
| InChI | InChI=1S/C14H26O2/c1-11(2)7-8-16-13(15)9-12(3)10-14(4,5)6/h7,12H,8-10H2,1-6H3 |
| InChIKey | HVBJKUSOHAZWLX-UHFFFAOYSA-N |
| Molecular Weight | 226.360 g/mol |
| SMILES | C(CC(OCC=C(C)C)=O)(CC(C)(C)C)C |