![Ethyl 3-[(2,2-diethoxyethyl)amino]tridec-2-enoate](/api/spectrum/1bBGkVuvZIE/structure.png?h=300&w=458 "Ethyl 3-[(2,2-diethoxyethyl)amino]tridec-2-enoate")
| SpectraBase Compound ID | CSqDCP5vq2o |
|---|---|
| InChI | InChI=1S/C21H41NO4/c1-5-9-10-11-12-13-14-15-16-19(17-20(23)24-6-2)22-18-21(25-7-3)26-8-4/h17,21-22H,5-16,18H2,1-4H3/b19-17- |
| InChIKey | LBJCIJDLBYPKGW-ZPHPHTNESA-N |
| Mol Weight | 371.6 g/mol |
| Molecular Formula | C21H41NO4 |
| Exact Mass | 371.303559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1bBGkVuvZIE |
|---|---|
| Name | Ethyl 3-[(2,2-diethoxyethyl)amino]tridec-2-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 371.303558800 u |
| Formula | C21H41NO4 |
| InChI | InChI=1S/C21H41NO4/c1-5-9-10-11-12-13-14-15-16-19(17-20(23)24-6-2)22-18-21(25-7-3)26-8-4/h17,21-22H,5-16,18H2,1-4H3/b19-17- |
| InChIKey | LBJCIJDLBYPKGW-ZPHPHTNESA-N |
| Molecular Weight | 371.562 g/mol |
| SMILES | C(\C=C\(NCC(OCC)OCC)CCCCCCCCCC)(=O)OCC |