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N-{4-[(4-{3-[(cyclohexylamino)sulfonyl]-4-methylphenyl}-1-phthalazinyl)amino]phenyl}acetamide
SpectraBase Compound ID CTIu9dVnGo1
InChI InChI=1S/C29H31N5O3S/c1-19-12-13-21(18-27(19)38(36,37)34-24-8-4-3-5-9-24)28-25-10-6-7-11-26(25)29(33-32-28)31-23-16-14-22(15-17-23)30-20(2)35/h6-7,10-18,24,34H,3-5,8-9H2,1-2H3,(H,30,35)(H,31,33)
InChIKey WKBROKWAWSBKLU-UHFFFAOYSA-N
Mol Weight 529.66 g/mol
Molecular Formula C29H31N5O3S
Exact Mass 529.214761 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GGfVd9r8HNH
Name N-{4-[(4-{3-[(cyclohexylamino)sulfonyl]-4-methylphenyl}-1-phthalazinyl)amino]phenyl}acetamide
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/C29H31N5O3S/c1-19-12-13-21(18-27(19)38(36,37)34-24-8-4-3-5-9-24)28-25-10-6-7-11-26(25)29(33-32-28)31-23-16-14-22(15-17-23)30-20(2)35/h6-7,10-18,24,34H,3-5,8-9H2,1-2H3,(H,30,35)(H,31,33)
InChIKey WKBROKWAWSBKLU-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_15003
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: C26534; Labnumber: RRAZ1-2426; SBI_ID: SBI-015006
Temperature 313 °C