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4-{4-methyl-3-[(4-methyl-1-piperidinyl)sulfonyl]phenyl}-1(2H)-phthalazinone
SpectraBase Compound ID HM2HdD6FIET
InChI InChI=1S/C21H23N3O3S/c1-14-9-11-24(12-10-14)28(26,27)19-13-16(8-7-15(19)2)20-17-5-3-4-6-18(17)21(25)23-22-20/h3-8,13-14H,9-12H2,1-2H3,(H,23,25)
InChIKey WQYCVSXZMMGZQA-UHFFFAOYSA-N
Mol Weight 397.49 g/mol
Molecular Formula C21H23N3O3S
Exact Mass 397.146013 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 18KwtdD6DYG
Name 4-{4-methyl-3-[(4-methyl-1-piperidinyl)sulfonyl]phenyl}-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/C21H23N3O3S/c1-14-9-11-24(12-10-14)28(26,27)19-13-16(8-7-15(19)2)20-17-5-3-4-6-18(17)21(25)23-22-20/h3-8,13-14H,9-12H2,1-2H3,(H,23,25)
InChIKey WQYCVSXZMMGZQA-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16013
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: D09553; Labnumber: RRAZ1-3443; SBI_ID: SBI-016016
Temperature 318 °C