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3-[(4-chlorobenzoyl)amino]-3-(4-isopropoxyphenyl)propanoic acid
SpectraBase Compound ID 9oP7R3zL1Y
InChI InChI=1S/C19H20ClNO4/c1-12(2)25-16-9-5-13(6-10-16)17(11-18(22)23)21-19(24)14-3-7-15(20)8-4-14/h3-10,12,17H,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKey DVDKPAYTTCEFAU-UHFFFAOYSA-N
Mol Weight 361.83 g/mol
Molecular Formula C19H20ClNO4
Exact Mass 361.108086 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2WFewU1EeqZ
Name 3-[(4-chlorobenzoyl)amino]-3-(4-isopropoxyphenyl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20ClNO4
InChI InChI=1S/C19H20ClNO4/c1-12(2)25-16-9-5-13(6-10-16)17(11-18(22)23)21-19(24)14-3-7-15(20)8-4-14/h3-10,12,17H,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKey DVDKPAYTTCEFAU-UHFFFAOYSA-N
Molecular Weight 361.825 g/mol
SMILES OC(CC(c1ccc(cc1)OC(C)C)NC(=O)c1ccc(cc1)Cl)=O
SPLASH splash10-000f-7921000000-e986c8e5f633ec566832
Synonyms 3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid 3-[(4-chlorophenyl)carbonylamino]-3-(4-propan-2-yloxyphenyl)propanoic acid 3-[[(4-chlorophenyl)-oxomethyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
Wiley ID 1444218