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carbamothioic acid, butyl-, S-[(4E)-1-(3-chloro-4-methoxyphenyl)-4,5-dihydro-4-[[4-(1-methylethoxy)phenyl]methylene]-5-oxo-1H-imidazol-2-yl] ester

View entire compound with spectra: 1 NMR

carbamothioic acid, butyl-, S-[(4E)-1-(3-chloro-4-methoxyphenyl)-4,5-dihydro-4-[[4-(1-methylethoxy)phenyl]methylene]-5-oxo-1H-imidazol-2-yl] ester
SpectraBase Compound ID 5fpjzXdDVFz
InChI InChI=1S/C25H28ClN3O4S/c1-5-6-13-27-25(31)34-24-28-21(14-17-7-10-19(11-8-17)33-16(2)3)23(30)29(24)18-9-12-22(32-4)20(26)15-18/h7-12,14-16H,5-6,13H2,1-4H3,(H,27,31)/b21-14+
InChIKey ZGRNOFXKKBVPMV-KGENOOAVSA-N
Mol Weight 502.03 g/mol
Molecular Formula C25H28ClN3O4S
Exact Mass 501.148905 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BW3i2a0Oa7A
Name carbamothioic acid, butyl-, S-[(4E)-1-(3-chloro-4-methoxyphenyl)-4,5-dihydro-4-[[4-(1-methylethoxy)phenyl]methylene]-5-oxo-1H-imidazol-2-yl] ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 501.148905264 u
Formula C25H28ClN3O4S
InChI InChI=1S/C25H28ClN3O4S/c1-5-6-13-27-25(31)34-24-28-21(14-17-7-10-19(11-8-17)33-16(2)3)23(30)29(24)18-9-12-22(32-4)20(26)15-18/h7-12,14-16H,5-6,13H2,1-4H3,(H,27,31)/b21-14+
InChIKey ZGRNOFXKKBVPMV-KGENOOAVSA-N
Molecular Weight 502.029 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4800
Solvent DMSO-d6
Source Vendor ID: NMR/13288547