| SpectraBase Compound ID | 2RdwAgtDBZW |
|---|---|
| InChI | InChI=1S/C14H16ClNO3/c1-2-3-9-19-14(18)8-7-13(17)16-12-6-4-5-11(15)10-12/h4-8,10H,2-3,9H2,1H3,(H,16,17)/b8-7+ |
| InChIKey | AFSYGRCHAMJMOV-BQYQJAHWSA-N |
| Mol Weight | 281.74 g/mol |
| Molecular Formula | C14H16ClNO3 |
| Exact Mass | 281.081871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6MZd7yDf2Ah |
|---|---|
| Name | Fumaric acid, monoamide, N-(3-chlorolphenyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.081871076 u |
| Formula | C14H16ClNO3 |
| InChI | InChI=1S/C14H16ClNO3/c1-2-3-9-19-14(18)8-7-13(17)16-12-6-4-5-11(15)10-12/h4-8,10H,2-3,9H2,1H3,(H,16,17)/b8-7+ |
| InChIKey | AFSYGRCHAMJMOV-BQYQJAHWSA-N |
| Molecular Weight | 281.739 g/mol |
| SMILES | CCCCOC(\C=C\C(NC1=CC(=CC=C1)Cl)=O)=O |