| SpectraBase Compound ID | 508zP0dvcnb |
|---|---|
| InChI | InChI=1S/C16H20ClNO3/c1-2-3-4-5-12-21-16(20)11-10-15(19)18-14-8-6-13(17)7-9-14/h6-11H,2-5,12H2,1H3,(H,18,19)/b11-10+ |
| InChIKey | WAPFXCABBDSMCV-ZHACJKMWSA-N |
| Mol Weight | 309.79 g/mol |
| Molecular Formula | C16H20ClNO3 |
| Exact Mass | 309.113171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8vLcOe0WYrB |
|---|---|
| Name | Fumaric acid, monoamide, N-(4-chlorophenyl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.113171205 u |
| Formula | C16H20ClNO3 |
| InChI | InChI=1S/C16H20ClNO3/c1-2-3-4-5-12-21-16(20)11-10-15(19)18-14-8-6-13(17)7-9-14/h6-11H,2-5,12H2,1H3,(H,18,19)/b11-10+ |
| InChIKey | WAPFXCABBDSMCV-ZHACJKMWSA-N |
| Molecular Weight | 309.793 g/mol |
| SMILES | C(\C=C\C(NC1=CC=C(C=C1)Cl)=O)(OCCCCCC)=O |