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6-methyl-3-{4-methyl-3-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl}[1,2,4]triazolo[3,4-a]phthalazine
SpectraBase Compound ID 2uDptB9WSTs
InChI InChI=1S/C27H26N6O2S/c1-19-12-13-21(26-28-29-27-24-11-7-6-10-23(24)20(2)30-33(26)27)18-25(19)36(34,35)32-16-14-31(15-17-32)22-8-4-3-5-9-22/h3-13,18H,14-17H2,1-2H3
InChIKey GESKJQSUDSDRQL-UHFFFAOYSA-N
Mol Weight 498.61 g/mol
Molecular Formula C27H26N6O2S
Exact Mass 498.183795 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3rCbb8nA0v8
Name 6-methyl-3-{4-methyl-3-[(4-phenyl-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/C27H26N6O2S/c1-19-12-13-21(26-28-29-27-24-11-7-6-10-23(24)20(2)30-33(26)27)18-25(19)36(34,35)32-16-14-31(15-17-32)22-8-4-3-5-9-22/h3-13,18H,14-17H2,1-2H3
InChIKey GESKJQSUDSDRQL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24847
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: D48862; Labnumber: RRAZ-1420; SBI_ID: SBI-024851
Temperature 318 °C