| SpectraBase Compound ID | 8MNTPxWfnBK |
|---|---|
| InChI | InChI=1S/C14H26O3/c1-13(15)11-9-7-5-3-4-6-8-10-12-14(16)17-2/h3-12H2,1-2H3 |
| InChIKey | NAZCFAXNULRRRD-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 | 8lXM1PLDMDr |
|---|---|
| Name | Tridecanoic acid, 12-oxo-, methyl ester |
| 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/c1-13(15)11-9-7-5-3-4-6-8-10-12-14(16)17-2/h3-12H2,1-2H3 |
| InChIKey | NAZCFAXNULRRRD-UHFFFAOYSA-N |
| Molecular Weight | 242.359 g/mol |
| SMILES | C(C(OC)=O)CCCCCCCCCC(C)=O |