| SpectraBase Compound ID | Bp9B4iPPlCP |
|---|---|
| InChI | InChI=1S/C18H25NO3/c1-3-5-6-9-14-22-18(21)13-12-17(20)19-16-11-8-7-10-15(16)4-2/h7-8,10-13H,3-6,9,14H2,1-2H3,(H,19,20)/b13-12+ |
| InChIKey | IBBMNQUMCTWTLI-OUKQBFOZSA-N |
| Mol Weight | 303.4 g/mol |
| Molecular Formula | C18H25NO3 |
| Exact Mass | 303.183444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BPDR4Ss9KhN |
|---|---|
| Name | Fumaric acid, monoamide, N-(2-ethylphenyl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.183443666 u |
| Formula | C18H25NO3 |
| InChI | InChI=1S/C18H25NO3/c1-3-5-6-9-14-22-18(21)13-12-17(20)19-16-11-8-7-10-15(16)4-2/h7-8,10-13H,3-6,9,14H2,1-2H3,(H,19,20)/b13-12+ |
| InChIKey | IBBMNQUMCTWTLI-OUKQBFOZSA-N |
| SMILES | CCCCCCOC(\C=C\C(NC1=CC=CC=C1CC)=O)=O |