| SpectraBase Compound ID | 3bQAZvL5S6C |
|---|---|
| InChI | InChI=1S/C19H35NO3/c1-4-7-9-11-15-20(16-12-10-8-5-2)18(21)13-14-19(22)23-17-6-3/h13-14H,4-12,15-17H2,1-3H3/b14-13+ |
| InChIKey | PRMRTEBSSWWKQX-BUHFOSPRSA-N |
| Mol Weight | 325.5 g/mol |
| Molecular Formula | C19H35NO3 |
| Exact Mass | 325.261694 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KjPcQGePW4G |
|---|---|
| Name | Fumaric acid, monoamide, N,N-dihexyl-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.261693988 u |
| Formula | C19H35NO3 |
| InChI | InChI=1S/C19H35NO3/c1-4-7-9-11-15-20(16-12-10-8-5-2)18(21)13-14-19(22)23-17-6-3/h13-14H,4-12,15-17H2,1-3H3/b14-13+ |
| InChIKey | PRMRTEBSSWWKQX-BUHFOSPRSA-N |
| Molecular Weight | 325.493 g/mol |
| SMILES | C(CCN(C(\C=C\C(=O)OCCC)=O)CCCCCC)CCC |