| SpectraBase Compound ID | 5cowwizRP98 |
|---|---|
| InChI | InChI=1S/C13H22O3/c1-11-9-12(14)7-5-3-2-4-6-8-13(15)16-10-11/h11H,2-10H2,1H3/t11-/m1/s1 |
| InChIKey | DKLVZNYNFUDJKY-LLVKDONJSA-N |
| Mol Weight | 226.32 g/mol |
| Molecular Formula | C13H22O3 |
| Exact Mass | 226.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A23iNRNZ0YT |
|---|---|
| Name | (12R)-12-Methyl-1-oxacyclotridecane-2,10-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.156894565 u |
| Formula | C13H22O3 |
| InChI | InChI=1S/C13H22O3/c1-11-9-12(14)7-5-3-2-4-6-8-13(15)16-10-11/h11H,2-10H2,1H3/t11-/m1/s1 |
| InChIKey | DKLVZNYNFUDJKY-LLVKDONJSA-N |
| Molecular Weight | 226.316 g/mol |
| SMILES | C1(OC[C@@](CC(=O)CCCCCCC1)(C)[H])=O |