| SpectraBase Compound ID | JSLno1lOQHG |
|---|---|
| InChI | InChI=1S/C22H41NO3/c1-4-7-10-13-18-23(19-14-11-8-5-2)21(24)16-17-22(25)26-20-15-12-9-6-3/h16-17H,4-15,18-20H2,1-3H3/b17-16+ |
| InChIKey | RRRWVIUENKEONA-WUKNDPDISA-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 | DGsf3FWa23s |
|---|---|
| Name | Fumaric acid, monoamide, N,N-dihexyl-, hexyl 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/c1-4-7-10-13-18-23(19-14-11-8-5-2)21(24)16-17-22(25)26-20-15-12-9-6-3/h16-17H,4-15,18-20H2,1-3H3/b17-16+ |
| InChIKey | RRRWVIUENKEONA-WUKNDPDISA-N |
| Molecular Weight | 367.574 g/mol |
| SMILES | C(CCCN(C(\C=C\C(OCCCCCC)=O)=O)CCCCCC)CC |