| SpectraBase Compound ID | 5i6rwoZXGSk |
|---|---|
| InChI | InChI=1S/C14H16ClNO4/c1-9(2)20-14(18)7-6-13(17)16-11-8-10(15)4-5-12(11)19-3/h4-9H,1-3H3,(H,16,17)/b7-6+ |
| InChIKey | CDLYVQUQMMALKU-VOTSOKGWSA-N |
| Mol Weight | 297.74 g/mol |
| Molecular Formula | C14H16ClNO4 |
| Exact Mass | 297.076786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9tPSaedDtry |
|---|---|
| Name | Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.076785695 u |
| Formula | C14H16ClNO4 |
| InChI | InChI=1S/C14H16ClNO4/c1-9(2)20-14(18)7-6-13(17)16-11-8-10(15)4-5-12(11)19-3/h4-9H,1-3H3,(H,16,17)/b7-6+ |
| InChIKey | CDLYVQUQMMALKU-VOTSOKGWSA-N |
| Molecular Weight | 297.738 g/mol |
| SMILES | COC1=CC=C(C=C1NC(\C=C\C(=O)OC(C)C)=O)Cl |