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6-methyl-3-{4-methyl-3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}[1,2,4]triazolo[3,4-a]phthalazine
SpectraBase Compound ID 5AzHhncaD2b
InChI InChI=1S/C22H24N6O2S/c1-15-8-9-17(14-20(15)31(29,30)27-12-10-26(3)11-13-27)21-23-24-22-19-7-5-4-6-18(19)16(2)25-28(21)22/h4-9,14H,10-13H2,1-3H3
InChIKey MCJAVDUVUVYZEI-UHFFFAOYSA-N
Mol Weight 436.53 g/mol
Molecular Formula C22H24N6O2S
Exact Mass 436.168145 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3TKNQomSEEv
Name 6-methyl-3-{4-methyl-3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}[1,2,4]triazolo[3,4-a]phthalazine
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/C22H24N6O2S/c1-15-8-9-17(14-20(15)31(29,30)27-12-10-26(3)11-13-27)21-23-24-22-19-7-5-4-6-18(19)16(2)25-28(21)22/h4-9,14H,10-13H2,1-3H3
InChIKey MCJAVDUVUVYZEI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24838
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: D48853; Labnumber: RRAZ-1411; SBI_ID: SBI-024842
Temperature 318 °C