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guanidine, N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-[(E)-1-oxo-2-(2-pyridinylthio)ethyl]-
SpectraBase Compound ID 9T0lJAprUIG
InChI InChI=1S/C24H24ClN7OS/c1-15-11-16(2)30-24(29-15)32-23(31-21(33)14-34-22-5-3-4-9-26-22)27-10-8-17-13-28-20-7-6-18(25)12-19(17)20/h3-7,9,11-13,28H,8,10,14H2,1-2H3,(H2,27,29,30,31,32,33)
InChIKey NUBQFETYNBWVQF-UHFFFAOYSA-N
Mol Weight 494.02 g/mol
Molecular Formula C24H24ClN7OS
Exact Mass 493.145157 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6LsA5hvUKth
Name guanidine, N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-[(E)-1-oxo-2-(2-pyridinylthio)ethyl]-
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/C24H24ClN7OS/c1-15-11-16(2)30-24(29-15)32-23(31-21(33)14-34-22-5-3-4-9-26-22)27-10-8-17-13-28-20-7-6-18(25)12-19(17)20/h3-7,9,11-13,28H,8,10,14H2,1-2H3,(H2,27,29,30,31,32,33)
InChIKey NUBQFETYNBWVQF-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_6878
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: F28765; Labnumber: VGU-37336