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2-{[{3-chloro-4-methyl[(4-methylphenyl)sulfonyl]anilino}(imino)methyl]amino}-4,6-dimethylpyrimidine
SpectraBase Compound ID BYhddEQJg7J
InChI InChI=1S/C21H22ClN5O2S/c1-13-5-9-18(10-6-13)30(28,29)27(17-8-7-14(2)19(22)12-17)20(23)26-21-24-15(3)11-16(4)25-21/h5-12H,1-4H3,(H2,23,24,25,26)
InChIKey LTHNDGRPJHVBBD-UHFFFAOYSA-N
Mol Weight 443.95 g/mol
Molecular Formula C21H22ClN5O2S
Exact Mass 443.118274 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID WDRr6rqF7j
Name 2-{[{3-chloro-4-methyl[(4-methylphenyl)sulfonyl]anilino}(imino)methyl]amino}-4,6-dimethylpyrimidine
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/C21H22ClN5O2S/c1-13-5-9-18(10-6-13)30(28,29)27(17-8-7-14(2)19(22)12-17)20(23)26-21-24-15(3)11-16(4)25-21/h5-12H,1-4H3,(H2,23,24,25,26)
InChIKey LTHNDGRPJHVBBD-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_8412
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: 128128; Labnumber: VGU-14608; VK_ID: VK-008416
Temperature 315 °C