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4-{3-[(4-benzyl-1-piperazinyl)sulfonyl]-4-methylphenyl}-2-methyl-1(2H)-phthalazinone
SpectraBase Compound ID Eb0d0BGjBKz
InChI InChI=1S/C27H28N4O3S/c1-20-12-13-22(26-23-10-6-7-11-24(23)27(32)29(2)28-26)18-25(20)35(33,34)31-16-14-30(15-17-31)19-21-8-4-3-5-9-21/h3-13,18H,14-17,19H2,1-2H3
InChIKey XHRMSIXPEZPZEY-UHFFFAOYSA-N
Mol Weight 488.61 g/mol
Molecular Formula C27H28N4O3S
Exact Mass 488.188212 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LxZD0Q4gwRU
Name 4-{3-[(4-benzyl-1-piperazinyl)sulfonyl]-4-methylphenyl}-2-methyl-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/C27H28N4O3S/c1-20-12-13-22(26-23-10-6-7-11-24(23)27(32)29(2)28-26)18-25(20)35(33,34)31-16-14-30(15-17-31)19-21-8-4-3-5-9-21/h3-13,18H,14-17,19H2,1-2H3
InChIKey XHRMSIXPEZPZEY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16255
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: D22716; Labnumber: RRAZ1-3426; SBI_ID: SBI-016258
Temperature 318 °C