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N''-[(E)-(3-bromophenyl)(oxo)methyl]-N-[(2E)-4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene]guanidine
SpectraBase Compound ID 7q9kMPLCo8c
InChI InChI=1S/C16H11BrN4O2S/c17-10-5-3-4-9(8-10)13(22)19-15(18)21-16-20-14(23)11-6-1-2-7-12(11)24-16/h1-8H,(H3,18,19,20,21,22,23)
InChIKey MQCDXZLRAWUCEY-UHFFFAOYSA-N
Mol Weight 403.25 g/mol
Molecular Formula C16H11BrN4O2S
Exact Mass 401.97861 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 198Z0LCfDIr
Name N''-[(E)-(3-bromophenyl)(oxo)methyl]-N-[(2E)-4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene]guanidine
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/C16H11BrN4O2S/c17-10-5-3-4-9(8-10)13(22)19-15(18)21-16-20-14(23)11-6-1-2-7-12(11)24-16/h1-8H,(H3,18,19,20,21,22,23)
InChIKey MQCDXZLRAWUCEY-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_8404
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: 128118; Labnumber: VGU-13847; VK_ID: VK-008408
Synonyms N''-[(3-bromophenyl)(oxo)methyl]-N-[4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene]guanidine
Temperature 315 °C