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2-N-(2-HYDROXY-4-NITROPHENYL)-6-NITRO-BENZOTHIAZOLE
SpectraBase Compound ID LxQgCwVMTC4
InChI InChI=1S/C13H8N4O5S/c18-11-5-7(16(19)20)1-3-9(11)14-13-15-10-4-2-8(17(21)22)6-12(10)23-13/h1-6,18H,(H,14,15)
InChIKey VGESNPPUJFIKOG-UHFFFAOYSA-N
Mol Weight 332.29 g/mol
Molecular Formula C13H8N4O5S
Exact Mass 332.021541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CEjlI7yKacC
Name 2-N-(2-HYDROXY-4-NITROPHENYL)-6-NITRO-BENZOTHIAZOLE
Compound Number 42C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H8N4O5S
InChI InChI=1S/C13H8N4O5S/c18-11-5-7(16(19)20)1-3-9(11)14-13-15-10-4-2-8(17(21)22)6-12(10)23-13/h1-6,18H,(H,14,15)
InChIKey VGESNPPUJFIKOG-UHFFFAOYSA-N
Literature Reference Author S.BILLEAU,F.CHATEL,M.ROBIN,R.FAURE,J.P.GALY
Literature Reference Citation MAGN.RES.CHEM.,44,102(2006)
Literature Reference DOI 10.1002/mrc.1704
Molecular Weight 332.290 g/mol
Sample ID 40865
Solvent DMSO-D6