| SpectraBase Compound ID | 6rmrGwGv8T4 |
|---|---|
| InChI | InChI=1S/C16H20ClFO4/c1-2-3-4-10-21-15(19)8-9-16(20)22-11-12-13(17)6-5-7-14(12)18/h5-7H,2-4,8-11H2,1H3 |
| InChIKey | OFZNTPDIEBBGGD-UHFFFAOYSA-N |
| Mol Weight | 330.78 g/mol |
| Molecular Formula | C16H20ClFO4 |
| Exact Mass | 330.103415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CLQFZziM8bg |
|---|---|
| Name | Succinic acid, 2-chloro-6-fluorobenzyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.103414983 u |
| Formula | C16H20ClFO4 |
| InChI | InChI=1S/C16H20ClFO4/c1-2-3-4-10-21-15(19)8-9-16(20)22-11-12-13(17)6-5-7-14(12)18/h5-7H,2-4,8-11H2,1H3 |
| InChIKey | OFZNTPDIEBBGGD-UHFFFAOYSA-N |
| Molecular Weight | 330.783 g/mol |
| SMILES | C1=CC(=C(C(=C1)Cl)COC(=O)CCC(OCCCCC)=O)F |