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benzamide, N-[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]-4-[(hexahydro-1H-azepin-1-yl)sulfonyl]-
SpectraBase Compound ID 6SWEQISoIcH
InChI InChI=1S/C25H29N5O5S2/c1-18-17-19(2)27-25(26-18)29-36(32,33)22-13-9-21(10-14-22)28-24(31)20-7-11-23(12-8-20)37(34,35)30-15-5-3-4-6-16-30/h7-14,17H,3-6,15-16H2,1-2H3,(H,28,31)(H,26,27,29)
InChIKey WJVNRHMDRRVCFF-UHFFFAOYSA-N
Mol Weight 543.66 g/mol
Molecular Formula C25H29N5O5S2
Exact Mass 543.161011 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID UNDpIVd419
Name benzamide, N-[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]-4-[(hexahydro-1H-azepin-1-yl)sulfonyl]-
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/C25H29N5O5S2/c1-18-17-19(2)27-25(26-18)29-36(32,33)22-13-9-21(10-14-22)28-24(31)20-7-11-23(12-8-20)37(34,35)30-15-5-3-4-6-16-30/h7-14,17H,3-6,15-16H2,1-2H3,(H,28,31)(H,26,27,29)
InChIKey WJVNRHMDRRVCFF-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_223
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/10318680