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3-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]-3-(3,4-dimethoxyphenyl)propanoic acid
SpectraBase Compound ID 37zKwHNl1q
InChI InChI=1S/C21H24ClNO6/c1-12-7-15(8-13(2)21(12)22)29-11-19(24)23-16(10-20(25)26)14-5-6-17(27-3)18(9-14)28-4/h5-9,16H,10-11H2,1-4H3,(H,23,24)(H,25,26)
InChIKey DJWYQGXRSVXQRK-UHFFFAOYSA-N
Mol Weight 421.88 g/mol
Molecular Formula C21H24ClNO6
Exact Mass 421.129215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DLnQPvV4XXv
Name 3-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]-3-(3,4-dimethoxyphenyl)propanoic acid
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Formula C21H24ClNO6
InChI InChI=1S/C21H24ClNO6/c1-12-7-15(8-13(2)21(12)22)29-11-19(24)23-16(10-20(25)26)14-5-6-17(27-3)18(9-14)28-4/h5-9,16H,10-11H2,1-4H3,(H,23,24)(H,25,26)
InChIKey DJWYQGXRSVXQRK-UHFFFAOYSA-N
Molecular Weight 421.877 g/mol
SMILES N(C(CC(O)=O)c1cc(c(cc1)OC)OC)C(=O)COc1cc(c(c(c1)C)Cl)C
SPLASH splash10-00b9-6930000000-5539c69af8be3e2b6992
Synonyms 3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid 3-[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid
Wiley ID 1445790