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Propionic acid, 3-(4-tert-butylphenyl)-3-(3-fluorobenzoylamino)-

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

Propionic acid, 3-(4-tert-butylphenyl)-3-(3-fluorobenzoylamino)-
SpectraBase Compound ID BK6bhTk93Gp
InChI InChI=1S/C20H22FNO3/c1-20(2,3)15-9-7-13(8-10-15)17(12-18(23)24)22-19(25)14-5-4-6-16(21)11-14/h4-11,17H,12H2,1-3H3,(H,22,25)(H,23,24)
InChIKey KUDVRPHLPDRQDZ-UHFFFAOYSA-N
Mol Weight 343.4 g/mol
Molecular Formula C20H22FNO3
Exact Mass 343.158372 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BNG2k5svxfJ
Name Propionic acid, 3-(4-tert-butylphenyl)-3-(3-fluorobenzoylamino)-
Comments Computed using HOSE algorithm
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Exact Mass 343.158371732 u
Formula C20H22FNO3
InChI InChI=1S/C20H22FNO3/c1-20(2,3)15-9-7-13(8-10-15)17(12-18(23)24)22-19(25)14-5-4-6-16(21)11-14/h4-11,17H,12H2,1-3H3,(H,22,25)(H,23,24)
InChIKey KUDVRPHLPDRQDZ-UHFFFAOYSA-N
Molecular Weight 343.398 g/mol
SMILES C1=CC(=CC=C1C(CC(O)=O)NC(=O)C=1C=C(C=CC1)F)C(C)(C)C