| SpectraBase Compound ID | Etq3jLA0Yd3 |
|---|---|
| InChI | InChI=1S/C12H20O3/c1-15-12(14)10-6-3-2-4-8-11(13)9-5-7-10/h10H,2-9H2,1H3 |
| InChIKey | YUWZEVUHQZBZKP-UHFFFAOYSA-N |
| Mol Weight | 212.29 g/mol |
| Molecular Formula | C12H20O3 |
| Exact Mass | 212.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5YAaHvJ0fJ1 |
|---|---|
| Name | Cyclodecanecarboxylic acid, 5-oxo-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.141244501 u |
| Formula | C12H20O3 |
| InChI | InChI=1S/C12H20O3/c1-15-12(14)10-6-3-2-4-8-11(13)9-5-7-10/h10H,2-9H2,1H3 |
| InChIKey | YUWZEVUHQZBZKP-UHFFFAOYSA-N |
| Molecular Weight | 212.289 g/mol |
| SMILES | C(=O)(C1CCCC(=O)CCCCC1)OC |