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5-(ORTHO-NITROPHENYL)-AZO-2-THIOXO-PYRIMIDINE-(1H,3H,5H)-4,6-DIONE;LACTAM/LACTIM-ENOL-AZO
SpectraBase Compound ID 3ryu1qIbMVJ
InChI InChI=1S/2C10H7N5O4S/c2*16-8-7(9(17)12-10(20)11-8)14-13-5-3-1-2-4-6(5)15(18)19/h2*1-4H,(H3,11,12,16,17,20)/b2*14-13+
InChIKey QKWYNPNUCPCUCJ-IGRBIYNPSA-N
Mol Weight 293.26 g/mol
Molecular Formula C10H7N5O4S
Exact Mass 293.021875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CeuIcRvnZDK
Name 5-(ORTHO-NITROPHENYL)-AZO-2-THIOXO-PYRIMIDINE-(1H,3H,5H)-4,6-DIONE;LACTAM/LACTIM-ENOL-AZO
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H7N5O4S
InChI InChI=1S/2C10H7N5O4S/c2*16-8-7(9(17)12-10(20)11-8)14-13-5-3-1-2-4-6(5)15(18)19/h2*1-4H,(H3,11,12,16,17,20)/b2*14-13+
InChIKey QKWYNPNUCPCUCJ-IGRBIYNPSA-N
Literature Reference Author N.N.PESYAN
Literature Reference Citation MAGN.RES.CHEM.,47,953(2009)
Literature Reference DOI 10.1002/mrc.2498
Molecular Weight 293.257 g/mol
Solvent DMSO-D6
Source File Reference UWLU80170