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3-(2-phenylbutanoylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid
SpectraBase Compound ID DjZjzKPnbGh
InChI InChI=1S/C22H27NO4/c1-4-19(16-8-6-5-7-9-16)22(26)23-20(14-21(24)25)17-10-12-18(13-11-17)27-15(2)3/h5-13,15,19-20H,4,14H2,1-3H3,(H,23,26)(H,24,25)
InChIKey MYIWNIXDOMVDLE-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 I9uCVG0e8G
Name 3-(2-phenylbutanoylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO4
InChI InChI=1S/C22H27NO4/c1-4-19(16-8-6-5-7-9-16)22(26)23-20(14-21(24)25)17-10-12-18(13-11-17)27-15(2)3/h5-13,15,19-20H,4,14H2,1-3H3,(H,23,26)(H,24,25)
InChIKey MYIWNIXDOMVDLE-UHFFFAOYSA-N
Molecular Weight 369.461 g/mol
SMILES OC(CC(c1ccc(cc1)OC(C)C)NC(=O)C(c1ccccc1)CC)=O
SPLASH splash10-00dl-5920000000-559a8faf27d917640adb
Synonyms 3-(4-isopropoxyphenyl)-3-(2-phenylbutanoylamino)propanoic acid 3-(4-isopropoxyphenyl)-3-(2-phenylbutanoylamino)propionic acid 3-[(1-oxo-2-phenylbutyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
Wiley ID 1444286