| SpectraBase Compound ID | 19ZLCOFyKLF |
|---|---|
| InChI | InChI=1S/C13H26O2/c1-5-11(2)7-6-8-12(3)9-10-13(14)15-4/h11-12H,5-10H2,1-4H3/t11?,12-/m0/s1 |
| InChIKey | NJCSCEWLPPUTAC-KIYNQFGBSA-N |
| Mol Weight | 214.35 g/mol |
| Molecular Formula | C13H26O2 |
| Exact Mass | 214.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3qLAnIIg0rG |
|---|---|
| Name | (4S,8R/S)-Methyl-4,8-dimethyldecanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.193280075 u |
| Formula | C13H26O2 |
| InChI | InChI=1S/C13H26O2/c1-5-11(2)7-6-8-12(3)9-10-13(14)15-4/h11-12H,5-10H2,1-4H3/t11?,12-/m0/s1 |
| InChIKey | NJCSCEWLPPUTAC-KIYNQFGBSA-N |
| Molecular Weight | 214.349 g/mol |
| SMILES | C(C)C(CCC[C@@](CCC(=O)OC)(C)[H])C |