| SpectraBase Compound ID | 8txpVVXEVVF |
|---|---|
| InChI | InChI=1S/C15H18ClFO4/c1-10(2)8-20-14(18)6-7-15(19)21-9-11-12(16)4-3-5-13(11)17/h3-5,10H,6-9H2,1-2H3 |
| InChIKey | BTELQSNTMPDWAP-UHFFFAOYSA-N |
| Mol Weight | 316.76 g/mol |
| Molecular Formula | C15H18ClFO4 |
| Exact Mass | 316.087765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | RBx1h1CTx7 |
|---|---|
| Name | Succinic acid, 2-chloro-6-fluorobenzyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.087764919 u |
| Formula | C15H18ClFO4 |
| InChI | InChI=1S/C15H18ClFO4/c1-10(2)8-20-14(18)6-7-15(19)21-9-11-12(16)4-3-5-13(11)17/h3-5,10H,6-9H2,1-2H3 |
| InChIKey | BTELQSNTMPDWAP-UHFFFAOYSA-N |
| Molecular Weight | 316.756 g/mol |
| SMILES | C1=CC(=C(C(=C1)Cl)COC(=O)CCC(OCC(C)C)=O)F |