| SpectraBase Compound ID | GchnaIJecJm |
|---|---|
| InChI | InChI=1S/C16H26O2/c17-15-9-5-1-3-7-13(15)11-12-14-8-4-2-6-10-16(14)18/h13-14H,1-12H2 |
| InChIKey | WKSMOADRNFEVMN-UHFFFAOYSA-N |
| Mol Weight | 250.38 g/mol |
| Molecular Formula | C16H26O2 |
| Exact Mass | 250.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5iiOUc7JfSH |
|---|---|
| Name | 1,2-Dicycloheptan-2-one-1-ylethane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.193280075 u |
| Formula | C16H26O2 |
| InChI | InChI=1S/C16H26O2/c17-15-9-5-1-3-7-13(15)11-12-14-8-4-2-6-10-16(14)18/h13-14H,1-12H2 |
| InChIKey | WKSMOADRNFEVMN-UHFFFAOYSA-N |
| Molecular Weight | 250.382 g/mol |
| SMILES | C1(=O)C(CCC2C(=O)CCCCC2)CCCCC1 |