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(2S,4'S,5'R)-2-Amino-1-(3',4'-dimethyl-2'-oxo-5'-phenyl-1'-imidazolyldinyl)-4-penten-1-one
SpectraBase Compound ID GqkUK6b9htf
InChI InChI=1S/C16H21N3O2/c1-4-8-13(17)15(20)19-14(11(2)18(3)16(19)21)12-9-6-5-7-10-12/h4-7,9-11,13-14H,1,8,17H2,2-3H3/t11-,13-,14-/m0/s1
InChIKey JLUQLOPDODJRGS-UBHSHLNASA-N
Mol Weight 287.36 g/mol
Molecular Formula C16H21N3O2
Exact Mass 287.163377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ah2hPjD03oW
Name (2S,4'S,5'R)-2-Amino-1-(3',4'-dimethyl-2'-oxo-5'-phenyl-1'-imidazolyldinyl)-4-penten-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 287.163376926 u
Formula C16H21N3O2
InChI InChI=1S/C16H21N3O2/c1-4-8-13(17)15(20)19-14(11(2)18(3)16(19)21)12-9-6-5-7-10-12/h4-7,9-11,13-14H,1,8,17H2,2-3H3/t11-,13-,14-/m0/s1
InChIKey JLUQLOPDODJRGS-UBHSHLNASA-N
SMILES C1(N([C@@]([C@@](N1C)(C)[H])(C=1C=CC=CC1)[H])C(=O)[C@@](N)(CC=C)[H])=O