| SpectraBase Compound ID | 6cfdTDZWppc |
|---|---|
| InChI | InChI=1S/C18H33NO3/c1-4-7-9-11-15-19(16-12-10-8-5-2)17(20)13-14-18(21)22-6-3/h13-14H,4-12,15-16H2,1-3H3/b14-13+ |
| InChIKey | LJKCAOJFSAXXKZ-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 | Bvn839xfGWV |
|---|---|
| Name | Fumaric acid, monoamide, N,N-dihexyl-, ethyl 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/c1-4-7-9-11-15-19(16-12-10-8-5-2)17(20)13-14-18(21)22-6-3/h13-14H,4-12,15-16H2,1-3H3/b14-13+ |
| InChIKey | LJKCAOJFSAXXKZ-BUHFOSPRSA-N |
| Molecular Weight | 311.466 g/mol |
| SMILES | C(N(C(\C=C\C(OCC)=O)=O)CCCCCC)CCCCC |