| SpectraBase Compound ID | LkIpuKSI07m |
|---|---|
| InChI | InChI=1S/C13H14ClNO3/c1-2-9-18-13(17)8-7-12(16)15-11-6-4-3-5-10(11)14/h3-8H,2,9H2,1H3,(H,15,16)/b8-7+ |
| InChIKey | CVQONLCTFNUIOO-BQYQJAHWSA-N |
| Mol Weight | 267.71 g/mol |
| Molecular Formula | C13H14ClNO3 |
| Exact Mass | 267.066221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bsrwt5VTxdJ |
|---|---|
| Name | Fumaric acid, monoamide, N-(2-chlorophenyl)-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.066221012 u |
| Formula | C13H14ClNO3 |
| InChI | InChI=1S/C13H14ClNO3/c1-2-9-18-13(17)8-7-12(16)15-11-6-4-3-5-10(11)14/h3-8H,2,9H2,1H3,(H,15,16)/b8-7+ |
| InChIKey | CVQONLCTFNUIOO-BQYQJAHWSA-N |
| SMILES | C(NC1=CC=CC=C1Cl)(\C=C\C(=O)OCCC)=O |