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3-(4-tert-butylphenyl)-3-(m-toluoylamino)propionic acid
SpectraBase Compound ID A1iIe1vkBQN
InChI InChI=1S/C21H25NO3/c1-14-6-5-7-16(12-14)20(25)22-18(13-19(23)24)15-8-10-17(11-9-15)21(2,3)4/h5-12,18H,13H2,1-4H3,(H,22,25)(H,23,24)
InChIKey FZVBTNKDPWXQCI-UHFFFAOYSA-N
Mol Weight 339.44 g/mol
Molecular Formula C21H25NO3
Exact Mass 339.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KmqpeuQC546
Name 3-(4-tert-butylphenyl)-3-(m-toluoylamino)propionic acid
Alternate Name(s) 3-(4-tert-butylphenyl)-3-[(3-methylbenzoyl)amino]propanoic acid 3-(4-tert-butylphenyl)-3-[(3-methylphenyl)carbonylamino]propanoic acid 3-(4-tert-butylphenyl)-3-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid
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Formula C21H25NO3
InChI InChI=1S/C21H25NO3/c1-14-6-5-7-16(12-14)20(25)22-18(13-19(23)24)15-8-10-17(11-9-15)21(2,3)4/h5-12,18H,13H2,1-4H3,(H,22,25)(H,23,24)
InChIKey FZVBTNKDPWXQCI-UHFFFAOYSA-N
Molecular Weight 339.435 g/mol
SMILES N(C(c1cc(C)ccc1)=O)C(CC(=O)O)c1ccc(C(C)(C)C)cc1
SPLASH splash10-00di-2791000000-903269cf35a971776224
Wiley ID 1510756