| SpectraBase Compound ID | 3WxVioIMTBq |
|---|---|
| InChI | InChI=1S/C16H30O2/c1-13(11-16(2,3)4)10-15(17)18-12-14-8-6-5-7-9-14/h13-14H,5-12H2,1-4H3 |
| InChIKey | ZYKBYSOILBDXIW-UHFFFAOYSA-N |
| Mol Weight | 254.41 g/mol |
| Molecular Formula | C16H30O2 |
| Exact Mass | 254.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LN1zZVIB5xH |
|---|---|
| Name | Hexanoic acid, 3,5,5-trimethyl-, cyclohexylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.224580204 u |
| Formula | C16H30O2 |
| InChI | InChI=1S/C16H30O2/c1-13(11-16(2,3)4)10-15(17)18-12-14-8-6-5-7-9-14/h13-14H,5-12H2,1-4H3 |
| InChIKey | ZYKBYSOILBDXIW-UHFFFAOYSA-N |
| Molecular Weight | 254.414 g/mol |
| SMILES | C(CC(OCC1CCCCC1)=O)(CC(C)(C)C)C |