| SpectraBase Compound ID | 3ZbRpgnp43X |
|---|---|
| InChI | InChI=1S/C18H19NO3/c1-2-3-13-22-18(21)12-11-17(20)19-16-10-6-8-14-7-4-5-9-15(14)16/h4-12H,2-3,13H2,1H3,(H,19,20)/b12-11+ |
| InChIKey | KXTPAPFSWSMAPP-VAWYXSNFSA-N |
| Mol Weight | 297.35 g/mol |
| Molecular Formula | C18H19NO3 |
| Exact Mass | 297.136493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BC7Ez3vrOzE |
|---|---|
| Name | Fumaric acid, monoamide, N-(1-naphthyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.136493473 u |
| Formula | C18H19NO3 |
| InChI | InChI=1S/C18H19NO3/c1-2-3-13-22-18(21)12-11-17(20)19-16-10-6-8-14-7-4-5-9-15(14)16/h4-12H,2-3,13H2,1H3,(H,19,20)/b12-11+ |
| InChIKey | KXTPAPFSWSMAPP-VAWYXSNFSA-N |
| Molecular Weight | 297.354 g/mol |
| SMILES | CCCCOC(\C=C\C(NC1=CC=CC=2C=CC=CC12)=O)=O |