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4-{[4-(3-{[(2-hydroxy-1,1-dimethylethyl)amino]sulfonyl}-4-methylphenyl)-1-phthalazinyl]amino}-N,N-dimethylbenzamide
SpectraBase Compound ID 4QRW1xoO0ag
InChI InChI=1S/C28H31N5O4S/c1-18-10-11-20(16-24(18)38(36,37)32-28(2,3)17-34)25-22-8-6-7-9-23(22)26(31-30-25)29-21-14-12-19(13-15-21)27(35)33(4)5/h6-16,32,34H,17H2,1-5H3,(H,29,31)
InChIKey VRVKLPOHMRDJOT-UHFFFAOYSA-N
Mol Weight 533.65 g/mol
Molecular Formula C28H31N5O4S
Exact Mass 533.209676 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B6PseuLE2FL
Name 4-{[4-(3-{[(2-hydroxy-1,1-dimethylethyl)amino]sulfonyl}-4-methylphenyl)-1-phthalazinyl]amino}-N,N-dimethylbenzamide
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/C28H31N5O4S/c1-18-10-11-20(16-24(18)38(36,37)32-28(2,3)17-34)25-22-8-6-7-9-23(22)26(31-30-25)29-21-14-12-19(13-15-21)27(35)33(4)5/h6-16,32,34H,17H2,1-5H3,(H,29,31)
InChIKey VRVKLPOHMRDJOT-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14980
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: C26509; Labnumber: RRAZ1-2385; SBI_ID: SBI-014983
Temperature 313 °C