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3-(4-tert-butylphenyl)-3-[2-(2,5-dimethylphenoxy)ethanoylamino]propanoic acid
SpectraBase Compound ID 5QPKZAl8egv
InChI InChI=1S/C23H29NO4/c1-15-6-7-16(2)20(12-15)28-14-21(25)24-19(13-22(26)27)17-8-10-18(11-9-17)23(3,4)5/h6-12,19H,13-14H2,1-5H3,(H,24,25)(H,26,27)
InChIKey LXXPQKRUOVOJRH-UHFFFAOYSA-N
Mol Weight 383.49 g/mol
Molecular Formula C23H29NO4
Exact Mass 383.209658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EA1bCnfz9Ma
Name 3-(4-tert-butylphenyl)-3-[2-(2,5-dimethylphenoxy)ethanoylamino]propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H29NO4
InChI InChI=1S/C23H29NO4/c1-15-6-7-16(2)20(12-15)28-14-21(25)24-19(13-22(26)27)17-8-10-18(11-9-17)23(3,4)5/h6-12,19H,13-14H2,1-5H3,(H,24,25)(H,26,27)
InChIKey LXXPQKRUOVOJRH-UHFFFAOYSA-N
Molecular Weight 383.488 g/mol
SMILES N(C(CC(=O)O)c1ccc(C(C)(C)C)cc1)C(=O)COc1c(ccc(c1)C)C
SPLASH splash10-074i-4941000000-a7ec564f2ef2aa84f2ac
Synonyms 3-(4-tert-butylphenyl)-3-[[2-(2,5-dimethylphenoxy)-1-oxoethyl]amino]propanoic acid 3-(4-tert-butylphenyl)-3-[[2-(2,5-dimethylphenoxy)acetyl]amino]propanoic acid
Wiley ID 1510722