| SpectraBase Compound ID | 5jkirNPF8WB |
|---|---|
| InChI | InChI=1S/C17H10ClNO4/c18-13-2-1-3-15(10-13)23-17(21)9-8-16(20)22-14-6-4-12(11-19)5-7-14/h1-10H/b9-8+ |
| InChIKey | UBZWUVWISGRVPC-CMDGGOBGSA-N |
| Mol Weight | 327.72 g/mol |
| Molecular Formula | C17H10ClNO4 |
| Exact Mass | 327.029836 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 87Rtznie6VY |
|---|---|
| Name | Fumaric acid, 4-cyanophenyl 3-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.029835502 u |
| Formula | C17H10ClNO4 |
| InChI | InChI=1S/C17H10ClNO4/c18-13-2-1-3-15(10-13)23-17(21)9-8-16(20)22-14-6-4-12(11-19)5-7-14/h1-10H/b9-8+ |
| InChIKey | UBZWUVWISGRVPC-CMDGGOBGSA-N |
| Molecular Weight | 327.723 g/mol |
| SMILES | C(\C=C\C(OC1=CC(=CC=C1)Cl)=O)(OC1=CC=C(C=C1)C#N)=O |