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(4R,5S)-1,5-dimethyl-3-[1-oxo-3-(phenylmethoxyamino)propyl]-4-phenyl-2-imidazolidinone
SpectraBase Compound ID G9aLP9s2Rba
InChI InChI=1S/C21H25N3O3/c1-16-20(18-11-7-4-8-12-18)24(21(26)23(16)2)19(25)13-14-22-27-15-17-9-5-3-6-10-17/h3-12,16,20,22H,13-15H2,1-2H3/t16-,20-/m0/s1
InChIKey QSSKIHWTOWUYEA-JXFKEZNVSA-N
Mol Weight 367.45 g/mol
Molecular Formula C21H25N3O3
Exact Mass 367.189592 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CHkyYV5y3HU
Name (4R,5S)-1,5-Dimethyl-3-[1-oxo-3-(phenylmethoxyamino)propyl]-4-phenyl-2-imidazolidinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.189591674 u
Formula C21H25N3O3
InChI InChI=1S/C21H25N3O3/c1-16-20(18-11-7-4-8-12-18)24(21(26)23(16)2)19(25)13-14-22-27-15-17-9-5-3-6-10-17/h3-12,16,20,22H,13-15H2,1-2H3/t16-,20-/m0/s1
InChIKey QSSKIHWTOWUYEA-JXFKEZNVSA-N
Molecular Weight 367.449 g/mol
SMILES C1(N([C@@]([C@@](N1C)(C)[H])(C1=CC=CC=C1)[H])C(CCNOCC=1C=CC=CC1)=O)=O