![2-Hexyl-2-[(octyloxy)methyl]-15-crown-5](/api/spectrum/3ybLrmlaeGW/structure.png?h=300&w=458 "2-Hexyl-2-[(octyloxy)methyl]-15-crown-5")
| SpectraBase Compound ID | 62g2YHGwJh1 |
|---|---|
| InChI | InChI=1S/C25H50O6/c1-3-5-7-9-10-12-14-29-23-25(13-11-8-6-4-2)24-30-20-19-27-16-15-26-17-18-28-21-22-31-25/h3-24H2,1-2H3 |
| InChIKey | LDZIUQFZLGWXIB-UHFFFAOYSA-N |
| Mol Weight | 446.7 g/mol |
| Molecular Formula | C25H50O6 |
| Exact Mass | 446.360739 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ybLrmlaeGW |
|---|---|
| Name | 2-Hexyl-2-[(octyloxy)methyl]-15-crown-5 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 446.360739324 u |
| Formula | C25H50O6 |
| InChI | InChI=1S/C25H50O6/c1-3-5-7-9-10-12-14-29-23-25(13-11-8-6-4-2)24-30-20-19-27-16-15-26-17-18-28-21-22-31-25/h3-24H2,1-2H3 |
| InChIKey | LDZIUQFZLGWXIB-UHFFFAOYSA-N |
| Molecular Weight | 446.669 g/mol |
| SMILES | C1(OCCOCCOCCOCCOC1)(COCCCCCCCC)CCCCCC |