| SpectraBase Compound ID | 4lhHe7mkZud |
|---|---|
| InChI | InChI=1S/C17H18N2O2/c1-21-17(20)12-7-11-16(15-10-5-6-13-18-15)19-14-8-3-2-4-9-14/h2-10,12-13,16,19H,11H2,1H3/b12-7+ |
| InChIKey | LXSQSMJIKBUGKL-KPKJPENVSA-N |
| Mol Weight | 282.34 g/mol |
| Molecular Formula | C17H18N2O2 |
| Exact Mass | 282.136828 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dms6BsoNquQ |
|---|---|
| Name | (E)-5-Anilino-5-(2-pyridinyl)-2-pentenoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.136827826 u |
| Formula | C17H18N2O2 |
| InChI | InChI=1S/C17H18N2O2/c1-21-17(20)12-7-11-16(15-10-5-6-13-18-15)19-14-8-3-2-4-9-14/h2-10,12-13,16,19H,11H2,1H3/b12-7+ |
| InChIKey | LXSQSMJIKBUGKL-KPKJPENVSA-N |
| SMILES | C(NC=1C=CC=CC1)(C1=NC=CC=C1)C\C=C\C(=O)OC |