| SpectraBase Compound ID | ISCq9l2fJLe |
|---|---|
| InChI | InChI=1S/C15H30O2/c1-5-6-10-13(2)11-8-7-9-12-14(3)15(16)17-4/h13-14H,5-12H2,1-4H3 |
| InChIKey | KCARNTNAZUJRKJ-UHFFFAOYSA-N |
| Mol Weight | 242.4 g/mol |
| Molecular Formula | C15H30O2 |
| Exact Mass | 242.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6zz9Rc5gesZ |
|---|---|
| Name | Dodecanoic acid, 2,8-dimethyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.224580204 u |
| Formula | C15H30O2 |
| InChI | InChI=1S/C15H30O2/c1-5-6-10-13(2)11-8-7-9-12-14(3)15(16)17-4/h13-14H,5-12H2,1-4H3 |
| InChIKey | KCARNTNAZUJRKJ-UHFFFAOYSA-N |
| Molecular Weight | 242.403 g/mol |
| SMILES | C(C(C(OC)=O)C)CCCCC(CCCC)C |