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3-(4-tert-butylphenyl)-3-[(3-fluorobenzoyl)amino]propanoic acid
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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IZch4CqB4uk
Name 3-(4-tert-butylphenyl)-3-[(3-fluorobenzoyl)amino]propanoic acid
Alternate Name(s) 3-(4-tert-butylphenyl)-3-[(3-fluorobenzoyl)amino]propionic acid 3-(4-tert-butylphenyl)-3-[(3-fluorophenyl)carbonylamino]propanoic acid 3-(4-tert-butylphenyl)-3-[[(3-fluorophenyl)-oxomethyl]amino]propanoic acid Propionic acid, 3-(4-tert-butylphenyl)-3-(3-fluorobenzoylamino)-
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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 OC(CC(c1ccc(cc1)C(C)(C)C)NC(=O)c1cc(ccc1)F)=O
SPLASH splash10-00di-4920000000-c7728b1a52e109367eb7
Wiley ID 1445936