| SpectraBase Compound ID | DS5zx7OSdLC |
|---|---|
| InChI | InChI=1S/C19H36O/c1-17-13-11-9-7-5-3-4-6-8-10-12-14-18(2)16-19(20)15-17/h17-18H,3-16H2,1-2H3 |
| InChIKey | AONVLXXXLJONAO-UHFFFAOYSA-N |
| Mol Weight | 280.5 g/mol |
| Molecular Formula | C19H36O |
| Exact Mass | 280.276616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2bT7vWGsAF |
|---|---|
| Name | Cycloheptadecanone, 3,16-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.276615778 u |
| Formula | C19H36O |
| InChI | InChI=1S/C19H36O/c1-17-13-11-9-7-5-3-4-6-8-10-12-14-18(2)16-19(20)15-17/h17-18H,3-16H2,1-2H3 |
| InChIKey | AONVLXXXLJONAO-UHFFFAOYSA-N |
| SMILES | C1(=O)CC(C)CCCCCCCCCCCCC(C1)C |