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3-Trifluoromethylbenzoic acid, 8-chlorooctyl ester
SpectraBase Compound ID 5zKilrmKq3t
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4QlIr1tQ4vp
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