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2-(2-Benzyl-3-chloro-propionylamino)-4-methyl-pentanoic acid, methyl ester
SpectraBase Compound ID Fz2Hlu69HCZ
InChI InChI=1S/C17H24ClNO3/c1-12(2)9-15(17(21)22-3)19-16(20)14(11-18)10-13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3,(H,19,20)
InChIKey AQYAKFXETUBKSN-UHFFFAOYSA-N
Mol Weight 325.84 g/mol
Molecular Formula C17H24ClNO3
Exact Mass 325.144471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4OQq0lQTIG
Name 2-(2-Benzyl-3-chloro-propionylamino)-4-methyl-pentanoic acid, methyl ester
Alternate Name(s) 2-[(2-benzyl-3-chloro-propanoyl)amino]-4-methyl-valeric acid methyl ester 2-[[2-(chloromethyl)-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid methyl ester Methyl 2-[(2-benzyl-3-chloro-propanoyl)amino]-4-methyl-pentanoate Methyl 2-[[2-(chloromethyl)-3-phenyl-propanoyl]amino]-4-methyl-pentanoate
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Formula C17H24ClNO3
InChI InChI=1S/C17H24ClNO3/c1-12(2)9-15(17(21)22-3)19-16(20)14(11-18)10-13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3,(H,19,20)
InChIKey AQYAKFXETUBKSN-UHFFFAOYSA-N
Molecular Weight 325.836 g/mol
SMILES N(C(C(Cc1ccccc1)CCl)=O)C(CC(C)C)C(=O)OC
SPLASH splash10-00ko-9520000000-344e30927c2dff6e074a
Wiley ID 1485842