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4-({[(4-bromobenzoyl)amino]carbothioyl}amino)-N-(5-methyl-3-isoxazolyl)benzenesulfonamide
SpectraBase Compound ID IdatQvTm5sY
InChI InChI=1S/C18H15BrN4O4S2/c1-11-10-16(22-27-11)23-29(25,26)15-8-6-14(7-9-15)20-18(28)21-17(24)12-2-4-13(19)5-3-12/h2-10H,1H3,(H,22,23)(H2,20,21,24,28)
InChIKey XSAGGZMPAAAXIV-UHFFFAOYSA-N
Mol Weight 495.37 g/mol
Molecular Formula C18H15BrN4O4S2
Exact Mass 493.97181 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ICPBOrqjiiM
Name 4-({[(4-bromobenzoyl)amino]carbothioyl}amino)-N-(5-methyl-3-isoxazolyl)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/C18H15BrN4O4S2/c1-11-10-16(22-27-11)23-29(25,26)15-8-6-14(7-9-15)20-18(28)21-17(24)12-2-4-13(19)5-3-12/h2-10H,1H3,(H,22,23)(H2,20,21,24,28)
InChIKey XSAGGZMPAAAXIV-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7426
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: D29745; Labnumber: NNOBK-1079; SBI_ID: SBI-007429
Temperature 315 °C