| SpectraBase Compound ID | JOz9gF4UDha |
|---|---|
| InChI | InChI=1S/C25H50O4/c1-3-4-5-6-7-8-9-10-11-12-16-25(2)23-28-21-14-19-26-17-13-18-27-20-15-22-29-24-25/h3-24H2,1-2H3 |
| InChIKey | PUAGIRCQBJBXHM-UHFFFAOYSA-N |
| Mol Weight | 414.7 g/mol |
| Molecular Formula | C25H50O4 |
| Exact Mass | 414.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Kpoxb6ga9k |
|---|---|
| Name | Dodecyl-methyl-16-crown-4 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.370910086 u |
| Formula | C25H50O4 |
| InChI | InChI=1S/C25H50O4/c1-3-4-5-6-7-8-9-10-11-12-16-25(2)23-28-21-14-19-26-17-13-18-27-20-15-22-29-24-25/h3-24H2,1-2H3 |
| InChIKey | PUAGIRCQBJBXHM-UHFFFAOYSA-N |
| Molecular Weight | 414.671 g/mol |
| SMILES | C1(COCCCOCCCOCCCOC1)(CCCCCCCCCCCC)C |