| SpectraBase Compound ID | DoDWHeFhWdm |
|---|---|
| InChI | InChI=1S/C15H26O3/c1-18-15(17)13-10-8-6-4-2-3-5-7-9-11-14(16)12-13/h13H,2-12H2,1H3 |
| InChIKey | YSNSMBXWNPWFCB-UHFFFAOYSA-N |
| Mol Weight | 254.37 g/mol |
| Molecular Formula | C15H26O3 |
| Exact Mass | 254.188195 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4fGnF6N20J5 |
|---|---|
| Name | 3-Ketocyclotridecanecarboxylic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.188194694 u |
| Formula | C15H26O3 |
| InChI | InChI=1S/C15H26O3/c1-18-15(17)13-10-8-6-4-2-3-5-7-9-11-14(16)12-13/h13H,2-12H2,1H3 |
| InChIKey | YSNSMBXWNPWFCB-UHFFFAOYSA-N |
| Molecular Weight | 254.370 g/mol |
| SMILES | C(C1CC(=O)CCCCCCCCCC1)(=O)OC |