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S-[2H-1,4-BENZOXAZIN-3(4H)-ON-2-YL]-ISOTHIO-URONIUM-BROMIDE
SpectraBase Compound ID 85Cxrh9qUT
InChI InChI=1S/C9H9N3O2S.BrH/c10-9(11)15-8-7(13)12-5-3-1-2-4-6(5)14-8;/h1-4,8H,(H3,10,11)(H,12,13);1H
InChIKey XTHAVUPCCWYTEK-UHFFFAOYSA-N
Mol Weight 304.16 g/mol
Molecular Formula C9H10BrN3O2S
Exact Mass 302.967711 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C5sYn5A8uQi
Name S-[2H-1,4-BENZOXAZIN-3(4H)-ON-2-YL]-ISOTHIO-URONIUM-BROMIDE
Compound Number 5
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C9H9N3O2S.BrH/c10-9(11)15-8-7(13)12-5-3-1-2-4-6(5)14-8;/h1-4,8H,(H3,10,11)(H,12,13);1H
InChIKey XTHAVUPCCWYTEK-UHFFFAOYSA-N
Literature Reference J.HETCYCL.CHEM.,33,1623(1996) M.KLUGE,D.SICKER
Solvent Dimethyl sulfoxide-d6