| SpectraBase Compound ID | IkdC5wgNBMC |
|---|---|
| InChI | InChI=1S/C17H32O2/c1-7-8-9-10-11-15(3)19-16(18)12-14(2)13-17(4,5)6/h10-11,14-15H,7-9,12-13H2,1-6H3/b11-10+ |
| InChIKey | NSCGWDUQAUOFFR-ZHACJKMWSA-N |
| Mol Weight | 268.4 g/mol |
| Molecular Formula | C17H32O2 |
| Exact Mass | 268.24023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LZoCb3ChkWT |
|---|---|
| Name | Hexanoic acid, 3,5,5-trimethyl-, oct-3-en-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.240230268 u |
| Formula | C17H32O2 |
| InChI | InChI=1S/C17H32O2/c1-7-8-9-10-11-15(3)19-16(18)12-14(2)13-17(4,5)6/h10-11,14-15H,7-9,12-13H2,1-6H3/b11-10+ |
| InChIKey | NSCGWDUQAUOFFR-ZHACJKMWSA-N |
| SMILES | C(CC(OC(\C=C\CCCC)C)=O)(CC(C)(C)C)C |