![2,12-Bis[ethylaminomethyl]-21-crown-7](/api/spectrum/C7S7wuL6y7V/structure.png?h=300&w=458 "2,12-Bis[ethylaminomethyl]-21-crown-7")
| SpectraBase Compound ID | DR55eGbA2yI |
|---|---|
| InChI | InChI=1S/C20H42N2O7/c1-3-21-15-19-17-26-9-7-23-8-10-27-18-20(16-22-4-2)29-14-12-25-6-5-24-11-13-28-19/h19-22H,3-18H2,1-2H3 |
| InChIKey | CXRGLDQIDDHIFI-UHFFFAOYSA-N |
| Mol Weight | 422.6 g/mol |
| Molecular Formula | C20H42N2O7 |
| Exact Mass | 422.299202 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C7S7wuL6y7V |
|---|---|
| Name | 2,12-bis[Ethylaminomethyl]-21-crown-7 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 422.299201693 u |
| Formula | C20H42N2O7 |
| InChI | InChI=1S/C20H42N2O7/c1-3-21-15-19-17-26-9-7-23-8-10-27-18-20(16-22-4-2)29-14-12-25-6-5-24-11-13-28-19/h19-22H,3-18H2,1-2H3 |
| InChIKey | CXRGLDQIDDHIFI-UHFFFAOYSA-N |
| Molecular Weight | 422.563 g/mol |
| SMILES | C1(OCCOCCOCCOC(COCCOCCOC1)CNCC)CNCC |