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Ethyl 5-(4-butylphenyl)-2-(trifluoromethyl)furan-3-carboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Ethyl 5-(4-butylphenyl)-2-(trifluoromethyl)furan-3-carboxylate
SpectraBase Compound ID AIdHTPbX9T4
InChI InChI=1S/C18H19F3O3/c1-3-5-6-12-7-9-13(10-8-12)15-11-14(17(22)23-4-2)16(24-15)18(19,20)21/h7-11H,3-6H2,1-2H3
InChIKey RUGMTHKVWGZUQP-UHFFFAOYSA-N
Mol Weight 340.34 g/mol
Molecular Formula C18H19F3O3
Exact Mass 340.128629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IugV3P8VKiC
Name Ethyl 5-(4-butylphenyl)-2-(trifluoromethyl)furan-3-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 340.128628958 u
Formula C18H19F3O3
InChI InChI=1S/C18H19F3O3/c1-3-5-6-12-7-9-13(10-8-12)15-11-14(17(22)23-4-2)16(24-15)18(19,20)21/h7-11H,3-6H2,1-2H3
InChIKey RUGMTHKVWGZUQP-UHFFFAOYSA-N
Molecular Weight 340.342 g/mol
SMILES C1(=C(OC(=C1)C=1C=CC(=CC1)CCCC)C(F)(F)F)C(=O)OCC