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(4R,5R)-(-)-1-(2'-Amidoacetyl)-3,4-dimethyl-5-phenyl-2-imidazolidinone chloride
SpectraBase Compound ID DRDsiuIDiba
InChI InChI=1S/C13H17N3O2.ClH/c1-9-12(10-6-4-3-5-7-10)16(11(17)8-14)13(18)15(9)2;/h3-7,9,12H,8,14H2,1-2H3;1H/t9-,12-;/m0./s1
InChIKey OBBOQLLCBZQYKK-CSDGMEMJSA-N
Mol Weight 283.76 g/mol
Molecular Formula C13H18ClN3O2
Exact Mass 283.108755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kt5LUwwtieC
Name (4R,5R)-(-)-1-(2'-Amidoacetyl)-3,4-dimethyl-5-phenyl-2-imidazolidinone chloride
Alternate Name(s) [2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenyl-1-imidazolidinyl]-2-oxoethyl]ammonium;chloride [2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-2-oxoethyl]azanium;chloride [2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenyl-imidazolidin-1-yl]-2-oxo-ethyl]ammonium;chloride [2-[(4S,5R)-3,4-dimethyl-2-oxidanylidene-5-phenyl-imidazolidin-1-yl]-2-oxidanylidene-ethyl]azanium;chloride
Comments Removed - expert review: contamination (acetone))
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Formula C13H18ClN3O2
InChI InChI=1S/C13H17N3O2.ClH/c1-9-12(10-6-4-3-5-7-10)16(11(17)8-14)13(18)15(9)2;/h3-7,9,12H,8,14H2,1-2H3;1H/t9-,12-;/m0./s1
InChIKey OBBOQLLCBZQYKK-CSDGMEMJSA-N
Molecular Weight 283.759 g/mol
SMILES [Cl-].[NH3+]CC(N1C(N(C)[C@]([C@]1(c1ccccc1)[H])(C)[H])=O)=O
SPLASH splash10-0a4i-9000000000-684266d5ee088a7b9cbb
Source of Spectrum J-65-7317-22
Wiley ID 1533650