SpectraBase Compound ID | 5zKilrmKq3t |
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InChI | InChI=1S/C16H20ClF3O2/c17-10-5-3-1-2-4-6-11-22-15(21)13-8-7-9-14(12-13)16(18,19)20/h7-9,12H,1-6,10-11H2 |
InChIKey | MRTHRZOLWFXNPF-UHFFFAOYSA-N |
Mol Weight | 336.78 g/mol |
Molecular Formula | C16H20ClF3O2 |
Exact Mass | 336.110392 g/mol |
SpectraBase Spectrum ID | 4QlIr1tQ4vp |
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Name | 3-Trifluoromethylbenzoic acid, 8-chlorooctyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 336.110392071 u |
Formula | C16H20ClF3O2 |
InChI | InChI=1S/C16H20ClF3O2/c17-10-5-3-1-2-4-6-11-22-15(21)13-8-7-9-14(12-13)16(18,19)20/h7-9,12H,1-6,10-11H2 |
InChIKey | MRTHRZOLWFXNPF-UHFFFAOYSA-N |
Molecular Weight | 336.782 g/mol |
SMILES | C1=CC(=CC(=C1)C(=O)OCCCCCCCCCl)C(F)(F)F |