| SpectraBase Compound ID | 2M4KXQXu6tF |
|---|---|
| InChI | InChI=1S/C22H42O3/c1-5-6-7-8-9-10-11-12-13-15-20(23)16-14-17-22(4)24-18-21(2,3)19-25-22/h5-19H2,1-4H3 |
| InChIKey | NKTYKZNZPSHZBQ-UHFFFAOYSA-N |
| Mol Weight | 354.6 g/mol |
| Molecular Formula | C22H42O3 |
| Exact Mass | 354.313395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6QKFEbFvneJ |
|---|---|
| Name | 1-(2,5,5-Trimethyl-1,3-dioxan-2-yl)-4-pentadecanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.313395209 u |
| Formula | C22H42O3 |
| InChI | InChI=1S/C22H42O3/c1-5-6-7-8-9-10-11-12-13-15-20(23)16-14-17-22(4)24-18-21(2,3)19-25-22/h5-19H2,1-4H3 |
| InChIKey | NKTYKZNZPSHZBQ-UHFFFAOYSA-N |
| Molecular Weight | 354.575 g/mol |
| SMILES | C1(OCC(CO1)(C)C)(CCCC(=O)CCCCCCCCCCC)C |