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3-(4-tert-butylphenyl)-3-[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]propanoic acid
SpectraBase Compound ID 56pPx61KlMZ
InChI InChI=1S/C21H23Cl2NO4/c1-21(2,3)14-6-4-13(5-7-14)17(11-20(26)27)24-19(25)12-28-18-9-8-15(22)10-16(18)23/h4-10,17H,11-12H2,1-3H3,(H,24,25)(H,26,27)
InChIKey QFRBYLDZVLBHOF-UHFFFAOYSA-N
Mol Weight 424.32 g/mol
Molecular Formula C21H23Cl2NO4
Exact Mass 423.100414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DPwvD7gVUbO
Name 3-(4-tert-butylphenyl)-3-[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]propanoic acid
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Formula C21H23Cl2NO4
InChI InChI=1S/C21H23Cl2NO4/c1-21(2,3)14-6-4-13(5-7-14)17(11-20(26)27)24-19(25)12-28-18-9-8-15(22)10-16(18)23/h4-10,17H,11-12H2,1-3H3,(H,24,25)(H,26,27)
InChIKey QFRBYLDZVLBHOF-UHFFFAOYSA-N
Molecular Weight 424.324 g/mol
SMILES N(C(CC(=O)O)c1ccc(C(C)(C)C)cc1)C(=O)COc1c(cc(cc1)Cl)Cl
SPLASH splash10-074l-5960000000-8b7d8def938c8408f0e8
Synonyms 3-(4-tert-butylphenyl)-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoic acid 3-[2-[2,4-bis(chloranyl)phenoxy]ethanoylamino]-3-(4-tert-butylphenyl)propanoic acid
Wiley ID 1445517