| SpectraBase Compound ID | FzpZnk5RBeR |
|---|---|
| InChI | InChI=1S/C17H23NO4/c1-13(2)7-6-12-22-17(20)11-10-16(19)18-14-8-4-5-9-15(14)21-3/h4-5,8-11,13H,6-7,12H2,1-3H3,(H,18,19)/b11-10+ |
| InChIKey | YZUXEGJTCHIMEG-ZHACJKMWSA-N |
| Mol Weight | 305.37 g/mol |
| Molecular Formula | C17H23NO4 |
| Exact Mass | 305.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6A4n4bo9acv |
|---|---|
| Name | Fumaric acid, monoamide, N-(2-methoxyphenyl)-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.162708221 u |
| Formula | C17H23NO4 |
| InChI | InChI=1S/C17H23NO4/c1-13(2)7-6-12-22-17(20)11-10-16(19)18-14-8-4-5-9-15(14)21-3/h4-5,8-11,13H,6-7,12H2,1-3H3,(H,18,19)/b11-10+ |
| InChIKey | YZUXEGJTCHIMEG-ZHACJKMWSA-N |
| SMILES | CC(C)CCCOC(\C=C\C(NC1=CC=CC=C1OC)=O)=O |