| SpectraBase Compound ID | KdO6mvR0vE |
|---|---|
| InChI | InChI=1S/C17H14ClFO4/c1-11-10-12(6-7-13(11)18)22-16(20)8-9-17(21)23-15-5-3-2-4-14(15)19/h2-7,10H,8-9H2,1H3 |
| InChIKey | XYCMUMPIRJGUOX-UHFFFAOYSA-N |
| Mol Weight | 336.75 g/mol |
| Molecular Formula | C17H14ClFO4 |
| Exact Mass | 336.056465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7rpndZsAmIT |
|---|---|
| Name | Succinic acid, 4-chloro-3-methylphenyl 2-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.056464790 u |
| Formula | C17H14ClFO4 |
| InChI | InChI=1S/C17H14ClFO4/c1-11-10-12(6-7-13(11)18)22-16(20)8-9-17(21)23-15-5-3-2-4-14(15)19/h2-7,10H,8-9H2,1H3 |
| InChIKey | XYCMUMPIRJGUOX-UHFFFAOYSA-N |
| Molecular Weight | 336.746 g/mol |
| SMILES | C(CC(OC1=CC(C)=C(C=C1)Cl)=O)C(OC1=CC=CC=C1F)=O |