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4-[(4-chloro-6-{4-[(1,3-thiazol-2-ylamino)sulfonyl]anilino}-1,3,5-triazin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SpectraBase Compound ID LOct93JEp7j
InChI InChI=1S/C21H16ClN9O4S4/c22-17-27-18(25-13-1-5-15(6-2-13)38(32,33)30-20-23-9-11-36-20)29-19(28-17)26-14-3-7-16(8-4-14)39(34,35)31-21-24-10-12-37-21/h1-12H,(H,23,30)(H,24,31)(H2,25,26,27,28,29)
InChIKey DKKKWXJYNNMIKL-UHFFFAOYSA-N
Mol Weight 622.1 g/mol
Molecular Formula C21H16ClN9O4S4
Exact Mass 620.989662 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FwK1gl57q19
Name 4-[(4-chloro-6-{4-[(1,3-thiazol-2-ylamino)sulfonyl]anilino}-1,3,5-triazin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
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/C21H16ClN9O4S4/c22-17-27-18(25-13-1-5-15(6-2-13)38(32,33)30-20-23-9-11-36-20)29-19(28-17)26-14-3-7-16(8-4-14)39(34,35)31-21-24-10-12-37-21/h1-12H,(H,23,30)(H,24,31)(H2,25,26,27,28,29)
InChIKey DKKKWXJYNNMIKL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_5566
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: 121609; Labnumber: VGU-13566; VK_ID: VK-005569
Temperature 318 °C