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3-Trifluoromethylbenzoic acid, hexyl ester
SpectraBase Compound ID CRbA7CLAw1b
InChI InChI=1S/C14H17F3O2/c1-2-3-4-5-9-19-13(18)11-7-6-8-12(10-11)14(15,16)17/h6-8,10H,2-5,9H2,1H3
InChIKey UZAHRNSFEYJOIY-UHFFFAOYSA-N
Mol Weight 274.28 g/mol
Molecular Formula C14H17F3O2
Exact Mass 274.118064 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D1ueZcbnqaw
Name 3-Trifluoromethylbenzoic acid, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 274.118064274 u
Formula C14H17F3O2
InChI InChI=1S/C14H17F3O2/c1-2-3-4-5-9-19-13(18)11-7-6-8-12(10-11)14(15,16)17/h6-8,10H,2-5,9H2,1H3
InChIKey UZAHRNSFEYJOIY-UHFFFAOYSA-N
Molecular Weight 274.283 g/mol
SMILES C1=CC(C(OCCCCCC)=O)=CC(=C1)C(F)(F)F