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3-(2-phenylbutanoylamino)-3-p-phenetyl-propionic acid
SpectraBase Compound ID Ams1LxojT4R
InChI InChI=1S/C21H25NO4/c1-3-18(15-8-6-5-7-9-15)21(25)22-19(14-20(23)24)16-10-12-17(13-11-16)26-4-2/h5-13,18-19H,3-4,14H2,1-2H3,(H,22,25)(H,23,24)
InChIKey SQHAZDASRNOZBN-UHFFFAOYSA-N
Mol Weight 355.43 g/mol
Molecular Formula C21H25NO4
Exact Mass 355.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LWN5nUsFzYp
Name 3-(2-phenylbutanoylamino)-3-p-phenetyl-propionic acid
Alternate Name(s) 3-(4-Ethoxyphenyl)-3-(2-phenylbutanoylamino)propanoic acid 3-(4-Ethoxyphenyl)-3-[(1-oxo-2-phenylbutyl)amino]propanoic acid
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Formula C21H25NO4
InChI InChI=1S/C21H25NO4/c1-3-18(15-8-6-5-7-9-15)21(25)22-19(14-20(23)24)16-10-12-17(13-11-16)26-4-2/h5-13,18-19H,3-4,14H2,1-2H3,(H,22,25)(H,23,24)
InChIKey SQHAZDASRNOZBN-UHFFFAOYSA-N
Molecular Weight 355.434 g/mol
SMILES OC(CC(c1ccc(cc1)OCC)NC(=O)C(c1ccccc1)CC)=O
SPLASH splash10-0006-5920000000-4f66913287fdc7b0f639
Wiley ID 1444291