| SpectraBase Compound ID | BdIvHgix76L |
|---|---|
| InChI | InChI=1S/C22H41NO3/c1-4-7-9-11-13-15-19-23(20-16-14-12-10-8-5-2)21(24)17-18-22(25)26-6-3/h17-18H,4-16,19-20H2,1-3H3/b18-17+ |
| InChIKey | NCGUPFWSOBMUHZ-ISLYRVAYSA-N |
| Mol Weight | 367.6 g/mol |
| Molecular Formula | C22H41NO3 |
| Exact Mass | 367.308644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | uYg8mvLvji |
|---|---|
| Name | Fumaric acid, monoamide, N,N-dioctyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 367.308644181 u |
| Formula | C22H41NO3 |
| InChI | InChI=1S/C22H41NO3/c1-4-7-9-11-13-15-19-23(20-16-14-12-10-8-5-2)21(24)17-18-22(25)26-6-3/h17-18H,4-16,19-20H2,1-3H3/b18-17+ |
| InChIKey | NCGUPFWSOBMUHZ-ISLYRVAYSA-N |
| Molecular Weight | 367.574 g/mol |
| SMILES | C(\C=C\C(N(CCCCCCCC)CCCCCCCC)=O)(OCC)=O |