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4,10-BIS-(ACETADIMO)-2,8-DINITROBENZOTRIAZOLO-[2,1-A]-BENZOTRIAZOLE
SpectraBase Compound ID H5XUI8NxfTJ
InChI InChI=1S/C16H12N8O6/c1-7(25)17-11-3-9(23(27)28)5-13-15(11)19-22-14-6-10(24(29)30)4-12(18-8(2)26)16(14)20-21(13)22/h3-6H,1-2H3,(H2,17,18,19,20,25,26)
InChIKey XUMIYAJGBISAOK-UHFFFAOYSA-N
Mol Weight 412.32 g/mol
Molecular Formula C16H12N8O6
Exact Mass 412.08798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID cRHXJZRxTg
Name 4,10-BIS-(ACETADIMO)-2,8-DINITROBENZOTRIAZOLO-[2,1-A]-BENZOTRIAZOLE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H12N8O6
InChI InChI=1S/C16H12N8O6/c1-7(25)17-11-3-9(23(27)28)5-13-15(11)19-22-14-6-10(24(29)30)4-12(18-8(2)26)16(14)20-21(13)22/h3-6H,1-2H3,(H2,17,18,19,20,25,26)
InChIKey XUMIYAJGBISAOK-UHFFFAOYSA-N
Literature Reference Author K.L.ALTMANN,A.P.CHAFIN,L.H.MERWIN,W.S.WILSON,R.GILARDI
Literature Reference Citation J.ORG.CHEM.,63,3352(1998)
Literature Reference DOI 10.1021/jo972252x
Molecular Weight 412.321 g/mol
Sample ID 37414
Solvent DMSO-D6