| SpectraBase Compound ID | IcFOTfFF9Fj |
|---|---|
| InChI | InChI=1S/C18H33NO3/c1-3-5-6-7-8-9-10-11-12-15-19-17(20)13-14-18(21)22-16-4-2/h13-14H,3-12,15-16H2,1-2H3,(H,19,20)/b14-13+ |
| InChIKey | ULHOHJYGEGPIHG-BUHFOSPRSA-N |
| Mol Weight | 311.5 g/mol |
| Molecular Formula | C18H33NO3 |
| Exact Mass | 311.246044 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3mAeKEan4HT |
|---|---|
| Name | Fumaric acid, monoamide, N-undecyl-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.246043924 u |
| Formula | C18H33NO3 |
| InChI | InChI=1S/C18H33NO3/c1-3-5-6-7-8-9-10-11-12-15-19-17(20)13-14-18(21)22-16-4-2/h13-14H,3-12,15-16H2,1-2H3,(H,19,20)/b14-13+ |
| InChIKey | ULHOHJYGEGPIHG-BUHFOSPRSA-N |
| Molecular Weight | 311.466 g/mol |
| SMILES | C(NCCCCCCCCCCC)(\C=C\C(OCCC)=O)=O |