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5-[({[4-({[amino(imino)methyl]amino}sulfonyl)anilino]carbothioyl}amino)carbonyl]-1,3-benzodioxole
SpectraBase Compound ID FLZv2kJrjW2
InChI InChI=1S/C16H15N5O5S2/c17-15(18)21-28(23,24)11-4-2-10(3-5-11)19-16(27)20-14(22)9-1-6-12-13(7-9)26-8-25-12/h1-7H,8H2,(H4,17,18,21)(H2,19,20,22,27)
InChIKey QHYNODSDBUNAIJ-UHFFFAOYSA-N
Mol Weight 421.45 g/mol
Molecular Formula C16H15N5O5S2
Exact Mass 421.051461 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FdWCF8HJ2vP
Name 5-[({[4-({[amino(imino)methyl]amino}sulfonyl)anilino]carbothioyl}amino)carbonyl]-1,3-benzodioxole
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/C16H15N5O5S2/c17-15(18)21-28(23,24)11-4-2-10(3-5-11)19-16(27)20-14(22)9-1-6-12-13(7-9)26-8-25-12/h1-7H,8H2,(H4,17,18,21)(H2,19,20,22,27)
InChIKey QHYNODSDBUNAIJ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3255
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: D09798; Labnumber: NNOBK-4197; SBI_ID: SBI-003257
Temperature 315 °C