| SpectraBase Compound ID | K1m5fGykvxC |
|---|---|
| InChI | InChI=1S/C20H13ClO4/c21-15-7-4-8-16(13-15)24-19(22)11-12-20(23)25-18-10-3-6-14-5-1-2-9-17(14)18/h1-13H/b12-11+ |
| InChIKey | NEPIPLKTFAXJJO-VAWYXSNFSA-N |
| Mol Weight | 352.77 g/mol |
| Molecular Formula | C20H13ClO4 |
| Exact Mass | 352.050237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IA2YmsasVXq |
|---|---|
| Name | Fumaric acid, naphth-1-yl 3-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.050236595 u |
| Formula | C20H13ClO4 |
| InChI | InChI=1S/C20H13ClO4/c21-15-7-4-8-16(13-15)24-19(22)11-12-20(23)25-18-10-3-6-14-5-1-2-9-17(14)18/h1-13H/b12-11+ |
| InChIKey | NEPIPLKTFAXJJO-VAWYXSNFSA-N |
| Molecular Weight | 352.773 g/mol |
| SMILES | C(\C=C\C(OC1=CC(=CC=C1)Cl)=O)(OC1=CC=CC2=C1C=CC=C2)=O |