| SpectraBase Compound ID | 76fxjguWgdf |
|---|---|
| InChI | InChI=1S/C15H19NO3/c1-3-11-19-15(18)10-9-14(17)16-13-7-5-12(4-2)6-8-13/h5-10H,3-4,11H2,1-2H3,(H,16,17)/b10-9+ |
| InChIKey | BEMCLEQJBVIDSN-MDZDMXLPSA-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 | 1Io9KZ9jRt |
|---|---|
| Name | Fumaric acid, monoamide, N-(4-ethylphenyl)-, propyl 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/c1-3-11-19-15(18)10-9-14(17)16-13-7-5-12(4-2)6-8-13/h5-10H,3-4,11H2,1-2H3,(H,16,17)/b10-9+ |
| InChIKey | BEMCLEQJBVIDSN-MDZDMXLPSA-N |
| Molecular Weight | 261.321 g/mol |
| SMILES | C1=C(C=CC(=C1)CC)NC(\C=C\C(=O)OCCC)=O |