| SpectraBase Compound ID | 7E91r6URwyu |
|---|---|
| InChI | InChI=1S/C14H16ClNO3/c1-10(2)9-19-14(18)8-7-13(17)16-12-6-4-3-5-11(12)15/h3-8,10H,9H2,1-2H3,(H,16,17)/b8-7+ |
| InChIKey | XQQPTJFLMGYCJG-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 | 6wZKIvWVtIo |
|---|---|
| Name | Fumaric acid, monoamide, N-(2-chlorophenyl)-, isobutyl 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/c1-10(2)9-19-14(18)8-7-13(17)16-12-6-4-3-5-11(12)15/h3-8,10H,9H2,1-2H3,(H,16,17)/b8-7+ |
| InChIKey | XQQPTJFLMGYCJG-BQYQJAHWSA-N |
| Molecular Weight | 281.739 g/mol |
| SMILES | C1=C(C(=CC=C1)Cl)NC(\C=C\C(=O)OCC(C)C)=O |