| SpectraBase Compound ID | 2eDqFNh5Zu1 |
|---|---|
| InChI | InChI=1S/C14H28O2/c1-5-6-7-9-12(2)10-8-11-13(3)14(15)16-4/h12-13H,5-11H2,1-4H3 |
| InChIKey | ZFOFWJPEVDYXKK-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 | 3PMqnVIdSlV |
|---|---|
| Name | Undecanoic acid, 2,6-dimethyl-, 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/c1-5-6-7-9-12(2)10-8-11-13(3)14(15)16-4/h12-13H,5-11H2,1-4H3 |
| InChIKey | ZFOFWJPEVDYXKK-UHFFFAOYSA-N |
| Molecular Weight | 228.376 g/mol |
| SMILES | C(CCC(CCCCC)C)C(C(OC)=O)C |