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6-methyl-3-[4-methyl-3-(1-piperidinylsulfonyl)phenyl][1,2,4]triazolo[3,4-a]phthalazine
SpectraBase Compound ID Fv3bZVK5kDh
InChI InChI=1S/C22H23N5O2S/c1-15-10-11-17(14-20(15)30(28,29)26-12-6-3-7-13-26)21-23-24-22-19-9-5-4-8-18(19)16(2)25-27(21)22/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3
InChIKey VTBHFFLEYOLLKJ-UHFFFAOYSA-N
Mol Weight 421.52 g/mol
Molecular Formula C22H23N5O2S
Exact Mass 421.157246 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8mYrrUY6xNN
Name 6-methyl-3-[4-methyl-3-(1-piperidinylsulfonyl)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/C22H23N5O2S/c1-15-10-11-17(14-20(15)30(28,29)26-12-6-3-7-13-26)21-23-24-22-19-9-5-4-8-18(19)16(2)25-27(21)22/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3
InChIKey VTBHFFLEYOLLKJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24837
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: D48852; Labnumber: RRAZ-1409; SBI_ID: SBI-024841
Temperature 318 °C