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2-PICRYL-4,6-DINITROTRIAZOLE-1-OXIDE;PI-DNBT
SpectraBase Compound ID LfF72aQa7X0
InChI InChI=1S/C12H4N8O11/c21-15-7-1-5(16(22)23)2-8(18(26)27)11(7)13-14(15)12-9(19(28)29)3-6(17(24)25)4-10(12)20(30)31/h1-4H
InChIKey VNINYBHZQFKLCJ-UHFFFAOYSA-N
Mol Weight 436.21 g/mol
Molecular Formula C12H4N8O11
Exact Mass 435.999953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JkImzQnnXBn
Name 2-PICRYL-4,6-DINITROTRIAZOLE-1-OXIDE;PI-DNBT
CAS Registry Number 87604-86-2
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H4N8O11
InChI InChI=1S/C12H4N8O11/c21-15-7-1-5(16(22)23)2-8(18(26)27)11(7)13-14(15)12-9(19(28)29)3-6(17(24)25)4-10(12)20(30)31/h1-4H
InChIKey VNINYBHZQFKLCJ-UHFFFAOYSA-N
Literature Reference Author J.M.DUST,R.A.MANDERVILLE
Literature Reference Citation CAN.J.CHEM.,76,662(1998)
Literature Reference DOI 10.1139/cjc-76-6-662
Molecular Weight 436.211 g/mol
Solvent DMSO-D6
Source File Reference UWMZ11696