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(2S,4'S,5'R)-2-Amino-1-(3',4'-Dimethyl-2'-oxo-5'-phenyl-1'-imidazolyldinyl)-4-pentyn-1-one
SpectraBase Compound ID CGgkNuEZVEv
InChI InChI=1S/C16H19N3O2/c1-4-8-13(17)15(20)19-14(11(2)18(3)16(19)21)12-9-6-5-7-10-12/h1,5-7,9-11,13-14H,8,17H2,2-3H3/t11-,13-,14-/m0/s1
InChIKey KLXJBBFHNVIFLS-UBHSHLNASA-N
Mol Weight 285.35 g/mol
Molecular Formula C16H19N3O2
Exact Mass 285.147727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ldi6FBQ3aCx
Name (2S,4'S,5'R)-2-Amino-1-(3',4'-Dimethyl-2'-oxo-5'-phenyl-1'-imidazolyldinyl)-4-pentyn-1-one
Comments Removed - expert review: contamination (acetone))
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19N3O2
InChI InChI=1S/C16H19N3O2/c1-4-8-13(17)15(20)19-14(11(2)18(3)16(19)21)12-9-6-5-7-10-12/h1,5-7,9-11,13-14H,8,17H2,2-3H3/t11-,13-,14-/m0/s1
InChIKey KLXJBBFHNVIFLS-UBHSHLNASA-N
Molecular Weight 285.347 g/mol
SMILES N[C@](C(N1C(N(C)[C@]([C@]1(c1ccccc1)[H])(C)[H])=O)=O)(CC#C)[H]
SPLASH splash10-0a4i-9000000000-c715f3fbb330ec120032
Source of Spectrum J-65-7319-27
Wiley ID 1533634