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4-imidazolidinepropanamide, 1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxo-N-(3-pyridinylmethyl)-, (4S)-
SpectraBase Compound ID FA934uHkKb7
InChI InChI=1S/C21H24N4O4/c1-29-17-6-4-15(5-7-17)10-12-25-20(27)18(24-21(25)28)8-9-19(26)23-14-16-3-2-11-22-13-16/h2-7,11,13,18H,8-10,12,14H2,1H3,(H,23,26)(H,24,28)
InChIKey ZJUXDDJBPYGCER-UHFFFAOYSA-N
Mol Weight 396.45 g/mol
Molecular Formula C21H24N4O4
Exact Mass 396.179755 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CcB5LyFQdnb
Name 4-Imidazolidinepropanamide, 1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxo-N-(3-pyridinylmethyl)-, (4S)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.179755265 u
Formula C21H24N4O4
InChI InChI=1S/C21H24N4O4/c1-29-17-6-4-15(5-7-17)10-12-25-20(27)18(24-21(25)28)8-9-19(26)23-14-16-3-2-11-22-13-16/h2-7,11,13,18H,8-10,12,14H2,1H3,(H,23,26)(H,24,28)
InChIKey ZJUXDDJBPYGCER-UHFFFAOYSA-N
Molecular Weight 396.447 g/mol
SMILES N(C(CCC1C(N(C(N1)=O)CCC=1C=CC(=CC1)OC)=O)=O)CC1=CN=CC=C1