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(S)-N-[(R)-2-(4-Chloro-2-methylphenoxy)propanoyl]valine Methyl Ester
SpectraBase Compound ID 2lGoU9LKGMF
InChI InChI=1S/C16H22ClNO4/c1-9(2)14(16(20)21-5)18-15(19)11(4)22-13-7-6-12(17)8-10(13)3/h6-9,11,14H,1-5H3,(H,18,19)/t11-,14+/m1/s1
InChIKey FACPMIDAFAMYEF-RISCZKNCSA-N
Mol Weight 327.81 g/mol
Molecular Formula C16H22ClNO4
Exact Mass 327.123736 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BalnJer7qdz
Name (S)-N-[(R)-2-(4-Chloro-2-methylphenoxy)propanoyl]valine Methyl Ester
Alternate Name(s) Methyl (2S)-2-{[(2R)-2-(4-chloro-2-methylphenoxy)propanoyl]amino}-3-methylbutanoate (2S)-2-[[(2R)-2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]-3-methylbutanoic acid methyl ester Methyl (2S)-2-[[(2R)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]-3-methylbutanoate Methyl (2S)-2-[[(2R)-2-(4-chloro-2-methyl-phenoxy)propanoyl]amino]-3-methyl-butanoate Methyl (2S)-2-[[(2R)-2-(4-chloranyl-2-methyl-phenoxy)propanoyl]amino]-3-methyl-butanoate
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Formula C16H22ClNO4
InChI InChI=1S/C16H22ClNO4/c1-9(2)14(16(20)21-5)18-15(19)11(4)22-13-7-6-12(17)8-10(13)3/h6-9,11,14H,1-5H3,(H,18,19)/t11-,14+/m1/s1
InChIKey FACPMIDAFAMYEF-RISCZKNCSA-N
Molecular Weight 327.808 g/mol
SMILES N(C([C@](Oc1c(cc(cc1)Cl)C)(C)[H])=O)[C@](C(=O)OC)(C(C)C)[H]
SPLASH splash10-0600-9502000000-e57bb7ec3a6325d910bd
Source of Spectrum J-61-7289-8
Wiley ID 1325430