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2-methyl-4-{4-methyl-3-[(4-methyl-1-piperidinyl)sulfonyl]phenyl}-1(2H)-phthalazinone
SpectraBase Compound ID A3airls9eoM
InChI InChI=1S/C22H25N3O3S/c1-15-10-12-25(13-11-15)29(27,28)20-14-17(9-8-16(20)2)21-18-6-4-5-7-19(18)22(26)24(3)23-21/h4-9,14-15H,10-13H2,1-3H3
InChIKey IZRQGAWUIXYDDW-UHFFFAOYSA-N
Mol Weight 411.52 g/mol
Molecular Formula C22H25N3O3S
Exact Mass 411.161663 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2kRz04ptmZL
Name 2-methyl-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/C22H25N3O3S/c1-15-10-12-25(13-11-15)29(27,28)20-14-17(9-8-16(20)2)21-18-6-4-5-7-19(18)22(26)24(3)23-21/h4-9,14-15H,10-13H2,1-3H3
InChIKey IZRQGAWUIXYDDW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16261
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: D22722; Labnumber: RRAZ1-3432; SBI_ID: SBI-016264
Temperature 318 °C