| SpectraBase Compound ID | 4my53qEaSPk |
|---|---|
| InChI | InChI=1S/C15H19NO3/c1-3-4-10-19-15(18)9-8-14(17)16-13-7-5-6-12(2)11-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,17)/b9-8+ |
| InChIKey | HABUINWHIFUDOB-CMDGGOBGSA-N |
| Mol Weight | 261.32 g/mol |
| Molecular Formula | C15H19NO3 |
| Exact Mass | 261.136493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EgyAlUKj0i9 |
|---|---|
| Name | Fumaric acid, monoamide, N-(3-methylphenyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.136493473 u |
| Formula | C15H19NO3 |
| InChI | InChI=1S/C15H19NO3/c1-3-4-10-19-15(18)9-8-14(17)16-13-7-5-6-12(2)11-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,17)/b9-8+ |
| InChIKey | HABUINWHIFUDOB-CMDGGOBGSA-N |
| Molecular Weight | 261.321 g/mol |
| SMILES | CCCCOC(\C=C\C(NC1=CC=CC(=C1)C)=O)=O |