| SpectraBase Compound ID | 6nGNEIzFFzz |
|---|---|
| InChI | InChI=1S/C16H19ClF4O2/c17-9-5-3-1-2-4-6-10-23-15(22)12-7-8-13(14(18)11-12)16(19,20)21/h7-8,11H,1-6,9-10H2 |
| InChIKey | PZBQIEYSGXZFQD-UHFFFAOYSA-N |
| Mol Weight | 354.77 g/mol |
| Molecular Formula | C16H19ClF4O2 |
| Exact Mass | 354.10097 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C7gxvTF8Hmd |
|---|---|
| Name | 3-Fluoro-4-trifluoromethylbenzoic acid, 8-chlorooctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.100970202 u |
| Formula | C16H19ClF4O2 |
| InChI | InChI=1S/C16H19ClF4O2/c17-9-5-3-1-2-4-6-10-23-15(22)12-7-8-13(14(18)11-12)16(19,20)21/h7-8,11H,1-6,9-10H2 |
| InChIKey | PZBQIEYSGXZFQD-UHFFFAOYSA-N |
| Molecular Weight | 354.773 g/mol |
| SMILES | C1=C(C=CC(=C1F)C(F)(F)F)C(=O)OCCCCCCCCCl |