| SpectraBase Compound ID | 2kRqW4CFYON |
|---|---|
| InChI | InChI=1S/C15H18ClNO3/c1-3-4-11(2)20-15(19)10-9-14(18)17-13-7-5-12(16)6-8-13/h5-11H,3-4H2,1-2H3,(H,17,18)/b10-9+ |
| InChIKey | NAMGGIHOZXIRHQ-MDZDMXLPSA-N |
| Mol Weight | 295.77 g/mol |
| Molecular Formula | C15H18ClNO3 |
| Exact Mass | 295.097521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H5ZuhFT87YG |
|---|---|
| Name | Fumaric acid, monoamide, N-(4-chlorophenyl)-, 2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.097521141 u |
| Formula | C15H18ClNO3 |
| InChI | InChI=1S/C15H18ClNO3/c1-3-4-11(2)20-15(19)10-9-14(18)17-13-7-5-12(16)6-8-13/h5-11H,3-4H2,1-2H3,(H,17,18)/b10-9+ |
| InChIKey | NAMGGIHOZXIRHQ-MDZDMXLPSA-N |
| SMILES | C1(=CC=C(C=C1)NC(\C=C\C(=O)OC(C)CCC)=O)Cl |