| SpectraBase Compound ID | 5q5suRPSZnd |
|---|---|
| InChI | InChI=1S/C14H28O2/c1-5-6-7-8-9-10-11-12-16-13(15)14(2,3)4/h5-12H2,1-4H3 |
| InChIKey | MURBAFYGPLVCCN-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 | KutmAY60Pcc |
|---|---|
| Name | 2,2-Dimethylpropanoic acid, nonyl 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/c1-5-6-7-8-9-10-11-12-16-13(15)14(2,3)4/h5-12H2,1-4H3 |
| InChIKey | MURBAFYGPLVCCN-UHFFFAOYSA-N |
| Molecular Weight | 228.376 g/mol |
| SMILES | C(COC(C(C)(C)C)=O)CCCCCCC |