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9H-purine, 2-chloro-6-[[3-[4-(3-chlorophenyl)-1-piperazinyl]-3-oxopropyl]thio]-
SpectraBase Compound ID BIvTZnY7xNq
InChI InChI=1S/C18H18Cl2N6OS/c19-12-2-1-3-13(10-12)25-5-7-26(8-6-25)14(27)4-9-28-17-15-16(22-11-21-15)23-18(20)24-17/h1-3,10-11H,4-9H2,(H,21,22,23,24)
InChIKey ZDDUXBRGNJGNSY-UHFFFAOYSA-N
Mol Weight 437.35 g/mol
Molecular Formula C18H18Cl2N6OS
Exact Mass 436.063986 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1zJMgXTnAnl
Name 9H-purine, 2-chloro-6-[[3-[4-(3-chlorophenyl)-1-piperazinyl]-3-oxopropyl]thio]-
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/C18H18Cl2N6OS/c19-12-2-1-3-13(10-12)25-5-7-26(8-6-25)14(27)4-9-28-17-15-16(22-11-21-15)23-18(20)24-17/h1-3,10-11H,4-9H2,(H,21,22,23,24)
InChIKey ZDDUXBRGNJGNSY-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_7077
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: F29446; Labnumber: ExLab-203806