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4-METHYL-1-(1'-METHYLETHYL)-C-5-NITRATO-R-3,C-4,T-6-TRINITROCYCLOHEXENE;T-6-METHYL-3-(1'-METHYLETHYL)-T-2,C-5,C-6-TRINITROCYCLOHEX-3-ENYLNITRATE

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4-METHYL-1-(1'-METHYLETHYL)-C-5-NITRATO-R-3,C-4,T-6-TRINITROCYCLOHEXENE;T-6-METHYL-3-(1'-METHYLETHYL)-T-2,C-5,C-6-TRINITROCYCLOHEX-3-ENYLNITRATE
SpectraBase Compound ID 9YDb0x1sZx7
InChI InChI=1S/C10H14N4O9/c1-5(2)6-4-7(11(15)16)10(3,13(19)20)9(23-14(21)22)8(6)12(17)18/h4-5,7-9H,1-3H3
InChIKey WURANBCHJQJIRN-UHFFFAOYSA-N
Mol Weight 334.24 g/mol
Molecular Formula C10H14N4O9
Exact Mass 334.076078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HEMqV8fUdDM
Name 4-METHYL-1-(1'-METHYLETHYL)-C-5-NITRATO-R-3,C-4,T-6-TRINITROCYCLOHEXENE;T-6-METHYL-3-(1'-METHYLETHYL)-T-2,C-5,C-6-TRINITROCYCLOHEX-3-ENYLNITRATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H14N4O9
InChI InChI=1S/C10H14N4O9/c1-5(2)6-4-7(11(15)16)10(3,13(19)20)9(23-14(21)22)8(6)12(17)18/h4-5,7-9H,1-3H3
InChIKey WURANBCHJQJIRN-UHFFFAOYSA-N
Literature Reference Author A.D.ABELL,M.P.HARTSHORN,W.T.ROBINSON,A.G.WALLER,G.J.WRIGHT
Literature Reference Citation AUSTR.J.CHEM.,42,2225(1989)
Literature Reference DOI 10.1071/ch9892225
Molecular Weight 334.243 g/mol
Solvent CDCl3
Source File Reference UWWR1391