| SpectraBase Compound ID | 3MvS89ITvgS |
|---|---|
| InChI | InChI=1S/C27H54O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30-25-27-26-31-22-21-28-19-20-29-23-24-32-27/h27H,2-26H2,1H3 |
| InChIKey | DHWGLSYFXWVNIS-UHFFFAOYSA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C27H54O5 |
| Exact Mass | 458.397125 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HOz8NvpZUTc |
|---|---|
| Name | 2-(Octadecyloxymethyl)-12-crown-4 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 458.397124834 u |
| Formula | C27H54O5 |
| InChI | InChI=1S/C27H54O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30-25-27-26-31-22-21-28-19-20-29-23-24-32-27/h27H,2-26H2,1H3 |
| InChIKey | DHWGLSYFXWVNIS-UHFFFAOYSA-N |
| Molecular Weight | 458.724 g/mol |
| SMILES | C1(OCCOCCOCCOC1)COCCCCCCCCCCCCCCCCCC |