| SpectraBase Compound ID | 6EBVwOQ6Vgy |
|---|---|
| InChI | InChI=1S/C13H9ClF4O4/c14-8-3-1-2-4-9(8)22-11(20)6-5-10(19)21-7-13(17,18)12(15)16/h1-6,12H,7H2/b6-5+ |
| InChIKey | JINZRBSIVPZAEZ-AATRIKPKSA-N |
| Mol Weight | 340.66 g/mol |
| Molecular Formula | C13H9ClF4O4 |
| Exact Mass | 340.012549 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3pIhmLzizQB |
|---|---|
| Name | Fumaric acid, 2-chlorophenyl 2,2,3,3-tetrafluoropropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.012549118 u |
| Formula | C13H9ClF4O4 |
| InChI | InChI=1S/C13H9ClF4O4/c14-8-3-1-2-4-9(8)22-11(20)6-5-10(19)21-7-13(17,18)12(15)16/h1-6,12H,7H2/b6-5+ |
| InChIKey | JINZRBSIVPZAEZ-AATRIKPKSA-N |
| Molecular Weight | 340.658 g/mol |
| SMILES | C(\C=C\C(OCC(C(F)F)(F)F)=O)(OC1=C(C=CC=C1)Cl)=O |