| SpectraBase Compound ID | 3ocuoxzrXq4 |
|---|---|
| InChI | InChI=1S/C16H20ClNO3/c1-2-3-4-5-11-21-16(20)10-9-15(19)18-14-8-6-7-13(17)12-14/h6-10,12H,2-5,11H2,1H3,(H,18,19)/b10-9+ |
| InChIKey | NCSBFEYHAPPUPZ-MDZDMXLPSA-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 | i5YEwMDvt5 |
|---|---|
| Name | Fumaric acid, monoamide, N-(3-chlorolphenyl)-, 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/c1-2-3-4-5-11-21-16(20)10-9-15(19)18-14-8-6-7-13(17)12-14/h6-10,12H,2-5,11H2,1H3,(H,18,19)/b10-9+ |
| InChIKey | NCSBFEYHAPPUPZ-MDZDMXLPSA-N |
| Molecular Weight | 309.793 g/mol |
| SMILES | CCCCCCOC(\C=C\C(NC1=CC(=CC=C1)Cl)=O)=O |