| SpectraBase Compound ID | LKtJMN1MBCV |
|---|---|
| InChI | InChI=1S/C14H26O3/c1-4-5-6-7-8-9-10-11-13(12(2)15)14(16)17-3/h13H,4-11H2,1-3H3 |
| InChIKey | HCSJAMNXGUVNNQ-UHFFFAOYSA-N |
| Mol Weight | 242.36 g/mol |
| Molecular Formula | C14H26O3 |
| Exact Mass | 242.188195 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8GaJLRxIR9r |
|---|---|
| Name | Methyl 2-acetylundecanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.188194694 u |
| Formula | C14H26O3 |
| InChI | InChI=1S/C14H26O3/c1-4-5-6-7-8-9-10-11-13(12(2)15)14(16)17-3/h13H,4-11H2,1-3H3 |
| InChIKey | HCSJAMNXGUVNNQ-UHFFFAOYSA-N |
| Molecular Weight | 242.359 g/mol |
| SMILES | CC(C(CCCCCCCCC)C(OC)=O)=O |