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(5-METHYLTHIAZOLO-[2,3-C]-1,2,4-TRIAZOLE-3,6-DIYL)-BIS-[[3-AMINO-5-(PHENYLAMINO)-1H-PYRAZOL-4-YL]-METHANONE]
SpectraBase Compound ID 9sDhPXQ2bVs
InChI InChI=1S/C25H21N11O2S/c1-12-19(17(37)15-20(26)30-32-22(15)28-13-8-4-2-5-9-13)39-25-35-34-24(36(12)25)18(38)16-21(27)31-33-23(16)29-14-10-6-3-7-11-14/h2-11H,1H3,(H4,26,28,30,32)(H4,27,29,31,33)
InChIKey HMQQEJSLMRMDNR-UHFFFAOYSA-N
Mol Weight 539.58 g/mol
Molecular Formula C25H21N11O2S
Exact Mass 539.16004 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 38yaaAohuxY
Name (5-METHYLTHIAZOLO-[2,3-C]-1,2,4-TRIAZOLE-3,6-DIYL)-BIS-[[3-AMINO-5-(PHENYLAMINO)-1H-PYRAZOL-4-YL]-METHANONE]
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H21N11O2S
InChI InChI=1S/C25H21N11O2S/c1-12-19(17(37)15-20(26)30-32-22(15)28-13-8-4-2-5-9-13)39-25-35-34-24(36(12)25)18(38)16-21(27)31-33-23(16)29-14-10-6-3-7-11-14/h2-11H,1H3,(H4,26,28,30,32)(H4,27,29,31,33)
InChIKey HMQQEJSLMRMDNR-UHFFFAOYSA-N
Literature Reference Author S.M.SAYED,M.A.KHALIL,M.A.E.RASLAN
Literature Reference Citation EUR.J.CHEM.,5,356(2014)
Literature Reference DOI 10.5155/eurjchem.5.2.356-362.1022
Molecular Weight 539.574 g/mol
Solvent DMSO-D6
Source File Reference UWIR17744