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thiourea, N-[(E)-[[2-(5-chloro-1H-indol-3-yl)ethyl]amino][(4,6-dimethyl-2-pyrimidinyl)amino]methylidene]-N'-methyl-
SpectraBase Compound ID Af9LfXy4RAB
InChI InChI=1S/C19H22ClN7S/c1-11-8-12(2)25-18(24-11)26-17(27-19(28)21-3)22-7-6-13-10-23-16-5-4-14(20)9-15(13)16/h4-5,8-10,23H,6-7H2,1-3H3,(H3,21,22,24,25,26,27,28)
InChIKey KXYVNZYWKUEDPO-UHFFFAOYSA-N
Mol Weight 415.95 g/mol
Molecular Formula C19H22ClN7S
Exact Mass 415.134593 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1BxSLVi4mzM
Name thiourea, N-[(E)-[[2-(5-chloro-1H-indol-3-yl)ethyl]amino][(4,6-dimethyl-2-pyrimidinyl)amino]methylidene]-N'-methyl-
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/C19H22ClN7S/c1-11-8-12(2)25-18(24-11)26-17(27-19(28)21-3)22-7-6-13-10-23-16-5-4-14(20)9-15(13)16/h4-5,8-10,23H,6-7H2,1-3H3,(H3,21,22,24,25,26,27,28)
InChIKey KXYVNZYWKUEDPO-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_11007
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: F40879; Labnumber: VGU-37425
Temperature 308 °C