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4H-imidazol-4-one, 3,5-dihydro-5-[[4-(1-methylethoxy)phenyl]methylene]-2-[[1-(4-morpholinylcarbonyl)propyl]thio]-3-
SpectraBase Compound ID 9XO7kGcxQCQ
InChI InChI=1S/C27H31N3O4S/c1-4-24(26(32)29-14-16-33-17-15-29)35-27-28-23(25(31)30(27)21-8-6-5-7-9-21)18-20-10-12-22(13-11-20)34-19(2)3/h5-13,18-19,24H,4,14-17H2,1-3H3/b23-18+
InChIKey SCVXBEFOVBTQAC-PTGBLXJZSA-N
Mol Weight 493.62 g/mol
Molecular Formula C27H31N3O4S
Exact Mass 493.203528 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LK0lkDtSJbZ
Name 4H-imidazol-4-one, 3,5-dihydro-5-[[4-(1-methylethoxy)phenyl]methylene]-2-[[1-(4-morpholinylcarbonyl)propyl]thio]-3-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 493.203527660 u
Formula C27H31N3O4S
InChI InChI=1S/C27H31N3O4S/c1-4-24(26(32)29-14-16-33-17-15-29)35-27-28-23(25(31)30(27)21-8-6-5-7-9-21)18-20-10-12-22(13-11-20)34-19(2)3/h5-13,18-19,24H,4,14-17H2,1-3H3/b23-18+
InChIKey SCVXBEFOVBTQAC-PTGBLXJZSA-N
Molecular Weight 493.622 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4782
Solvent DMSO-d6
Source Vendor ID: NMR/13288523