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1-{[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]carbothioyl}-4-methylpiperazin-4-ium
SpectraBase Compound ID 6tuL4yvjq8b
InChI InChI=1S/C21H23N7S2/c1-27-12-14-28(15-13-27)21(29)30-20-25-18(22-16-8-4-2-5-9-16)24-19(26-20)23-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3,(H2,22,23,24,25,26)/p+1
InChIKey NOLBQRHSCDLQPU-UHFFFAOYSA-O
Mol Weight 438.59 g/mol
Molecular Formula C21H24N7S2
Exact Mass 438.153461 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DZdRm1WIZGi
Name 1-{[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]carbothioyl}-4-methylpiperazin-4-ium
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/C21H23N7S2/c1-27-12-14-28(15-13-27)21(29)30-20-25-18(22-16-8-4-2-5-9-16)24-19(26-20)23-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3,(H2,22,23,24,25,26)/p+1
InChIKey NOLBQRHSCDLQPU-UHFFFAOYSA-O
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_5550
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: 121586; Labnumber: VGU-06663; VK_ID: VK-005553
Temperature 318 °C