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(2S)-2-[[(2R)-2-(4-chloro-2-methyl-phenoxy)propanoyl]amino]-3-phenyl-propionic acid methyl ester
SpectraBase Compound ID 9Lf03jOqLeX
InChI InChI=1S/C20H22ClNO4/c1-13-11-16(21)9-10-18(13)26-14(2)19(23)22-17(20(24)25-3)12-15-7-5-4-6-8-15/h4-11,14,17H,12H2,1-3H3,(H,22,23)/t14-,17+/m1/s1
InChIKey UENQMXXDGNOZTH-PBHICJAKSA-N
Mol Weight 375.85 g/mol
Molecular Formula C20H22ClNO4
Exact Mass 375.123736 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 55t9fOKjiA6
Name (2S)-2-[[(2R)-2-(4-chloro-2-methyl-phenoxy)propanoyl]amino]-3-phenyl-propionic acid methyl ester
Alternate Name(s) (2S)-2-[[(2R)-2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester Methyl (2S)-2-[[(2R)-2-(4-chloranyl-2-methyl-phenoxy)propanoyl]amino]-3-phenyl-propanoate Methyl (2S)-2-[[(2R)-2-(4-chloro-2-methyl-phenoxy)propanoyl]amino]-3-phenyl-propanoate
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Formula C20H22ClNO4
InChI InChI=1S/C20H22ClNO4/c1-13-11-16(21)9-10-18(13)26-14(2)19(23)22-17(20(24)25-3)12-15-7-5-4-6-8-15/h4-11,14,17H,12H2,1-3H3,(H,22,23)/t14-,17+/m1/s1
InChIKey UENQMXXDGNOZTH-PBHICJAKSA-N
Molecular Weight 375.852 g/mol
SMILES N(C([C@](Oc1c(cc(cc1)Cl)C)(C)[H])=O)[C@](C(=O)OC)(Cc1ccccc1)[H]
SPLASH splash10-0296-6932000000-d409f2eeed9b1edc1874
Source of Spectrum J-61-7289-8
Wiley ID 1357157