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3-(3-phenylbutanoylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid
SpectraBase Compound ID JTmIwxji7vi
InChI InChI=1S/C22H27NO4/c1-15(2)27-19-11-9-18(10-12-19)20(14-22(25)26)23-21(24)13-16(3)17-7-5-4-6-8-17/h4-12,15-16,20H,13-14H2,1-3H3,(H,23,24)(H,25,26)
InChIKey AYULTRPGSKOZKK-UHFFFAOYSA-N
Mol Weight 369.46 g/mol
Molecular Formula C22H27NO4
Exact Mass 369.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21yKqMiX5m8
Name 3-(3-phenylbutanoylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid
Alternate Name(s) 3-(4-isopropoxyphenyl)-3-(3-phenylbutanoylamino)propanoic acid 3-(4-isopropoxyphenyl)-3-(3-phenylbutanoylamino)propionic acid 3-[(1-oxo-3-phenylbutyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
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Formula C22H27NO4
InChI InChI=1S/C22H27NO4/c1-15(2)27-19-11-9-18(10-12-19)20(14-22(25)26)23-21(24)13-16(3)17-7-5-4-6-8-17/h4-12,15-16,20H,13-14H2,1-3H3,(H,23,24)(H,25,26)
InChIKey AYULTRPGSKOZKK-UHFFFAOYSA-N
Molecular Weight 369.461 g/mol
SMILES OC(CC(c1ccc(cc1)OC(C)C)NC(=O)CC(c1ccccc1)C)=O
SPLASH splash10-05fu-4910000000-0989eed4c94f0fc30749
Wiley ID 1444290