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N-[1-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]carbonyl}-3-(methylsulfanyl)propyl]-2-[(4-methoxybenzoyl)amino]benzamide
SpectraBase Compound ID IUVcGfKjUjo
InChI InChI=1S/C31H33N5O5S/c1-20-27(31(40)36(35(20)2)22-10-6-5-7-11-22)34-30(39)26(18-19-42-4)33-29(38)24-12-8-9-13-25(24)32-28(37)21-14-16-23(41-3)17-15-21/h5-17,26H,18-19H2,1-4H3,(H,32,37)(H,33,38)(H,34,39)
InChIKey IRQCCACXUVJRJB-UHFFFAOYSA-N
Mol Weight 587.7 g/mol
Molecular Formula C31H33N5O5S
Exact Mass 587.22024 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7HJR8XNRwRs
Name N-[1-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]carbonyl}-3-(methylsulfanyl)propyl]-2-[(4-methoxybenzoyl)amino]benzamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C31H33N5O5S/c1-20-27(31(40)36(35(20)2)22-10-6-5-7-11-22)34-30(39)26(18-19-42-4)33-29(38)24-12-8-9-13-25(24)32-28(37)21-14-16-23(41-3)17-15-21/h5-17,26H,18-19H2,1-4H3,(H,32,37)(H,33,38)(H,34,39)
InChIKey IRQCCACXUVJRJB-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_208
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: 602061RRK-1315; Labnumber: 602061RRK-1315; VK_ID: VK-000209
Temperature 313 °C