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6-methyl-3-{4-methyl-3-[(4-methyl-1-piperidinyl)sulfonyl]phenyl}[1,2,4]triazolo[3,4-a]phthalazine
SpectraBase Compound ID 4JPjimFqy3f
InChI InChI=1S/C23H25N5O2S/c1-15-10-12-27(13-11-15)31(29,30)21-14-18(9-8-16(21)2)22-24-25-23-20-7-5-4-6-19(20)17(3)26-28(22)23/h4-9,14-15H,10-13H2,1-3H3
InChIKey VUQPHMRCWNBJCU-UHFFFAOYSA-N
Mol Weight 435.55 g/mol
Molecular Formula C23H25N5O2S
Exact Mass 435.172896 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6QDISwTetSi
Name 6-methyl-3-{4-methyl-3-[(4-methyl-1-piperidinyl)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/C23H25N5O2S/c1-15-10-12-27(13-11-15)31(29,30)21-14-18(9-8-16(21)2)22-24-25-23-20-7-5-4-6-19(20)17(3)26-28(22)23/h4-9,14-15H,10-13H2,1-3H3
InChIKey VUQPHMRCWNBJCU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24849
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: D48864; Labnumber: RRAZ-1422; SBI_ID: SBI-024853
Temperature 318 °C