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4-{3-[(4-benzyl-1-piperazinyl)sulfonyl]-4-methylphenyl}-1(2H)-phthalazinone
SpectraBase Compound ID 4wK7uzi1waM
InChI InChI=1S/C26H26N4O3S/c1-19-11-12-21(25-22-9-5-6-10-23(22)26(31)28-27-25)17-24(19)34(32,33)30-15-13-29(14-16-30)18-20-7-3-2-4-8-20/h2-12,17H,13-16,18H2,1H3,(H,28,31)
InChIKey KQJFZXLSZFKVDT-UHFFFAOYSA-N
Mol Weight 474.58 g/mol
Molecular Formula C26H26N4O3S
Exact Mass 474.172562 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3XZXd9cAhnh
Name 4-{3-[(4-benzyl-1-piperazinyl)sulfonyl]-4-methylphenyl}-1(2H)-phthalazinone
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/C26H26N4O3S/c1-19-11-12-21(25-22-9-5-6-10-23(22)26(31)28-27-25)17-24(19)34(32,33)30-15-13-29(14-16-30)18-20-7-3-2-4-8-20/h2-12,17H,13-16,18H2,1H3,(H,28,31)
InChIKey KQJFZXLSZFKVDT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16009
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: D09547; Labnumber: RRAZ1-3437; SBI_ID: SBI-016012
Temperature 318 °C