| SpectraBase Compound ID | 54u4sPyDg1K |
|---|---|
| InChI | InChI=1S/C14H28O2/c1-6-11(2)10-12(3)8-7-9-13(4)14(15)16-5/h11-13H,6-10H2,1-5H3 |
| InChIKey | HRSKFPUCYCOQAG-UHFFFAOYSA-N |
| Mol Weight | 228.38 g/mol |
| Molecular Formula | C14H28O2 |
| Exact Mass | 228.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bssz4gIp50Y |
|---|---|
| Name | Decanoic acid, 2,6,8-trimethyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.208930140 u |
| Formula | C14H28O2 |
| InChI | InChI=1S/C14H28O2/c1-6-11(2)10-12(3)8-7-9-13(4)14(15)16-5/h11-13H,6-10H2,1-5H3 |
| InChIKey | HRSKFPUCYCOQAG-UHFFFAOYSA-N |
| Molecular Weight | 228.376 g/mol |
| SMILES | C(C(CCCC(CC(CC)C)C)C)(OC)=O |