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1-[(1-butyl-6-cyclopropyl-3-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)carbonyl]-4-(2-thienylmethyl)piperazin-4-ium chloride
SpectraBase Compound ID 6CITFguJMYo
InChI InChI=1S/C24H31N5OS.ClH/c1-3-4-9-29-23-22(17(2)26-29)20(15-21(25-23)18-7-8-18)24(30)28-12-10-27(11-13-28)16-19-6-5-14-31-19;/h5-6,14-15,18H,3-4,7-13,16H2,1-2H3;1H
InChIKey YOHXXAZOKLNEOR-UHFFFAOYSA-N
Mol Weight 474.1 g/mol
Molecular Formula C24H32ClN5OS
Exact Mass 473.20161 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I0WVoSpABLG
Name 1-[(1-butyl-6-cyclopropyl-3-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)carbonyl]-4-(2-thienylmethyl)piperazin-4-ium chloride
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/C24H31N5OS.ClH/c1-3-4-9-29-23-22(17(2)26-29)20(15-21(25-23)18-7-8-18)24(30)28-12-10-27(11-13-28)16-19-6-5-14-31-19;/h5-6,14-15,18H,3-4,7-13,16H2,1-2H3;1H
InChIKey YOHXXAZOKLNEOR-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32790
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: 1911556; SBI_ID: SBI-032794
Temperature 318 °C