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4-TERT.-BUTYL-2,6-DIMETHYL-R-2,T-5,C-6-TRINITROCYCLOHEX-3-ENONE
SpectraBase Compound ID 1Z5p6qV8Ftl
InChI InChI=1S/C12H17N3O7/c1-10(2,3)7-6-11(4,14(19)20)9(16)12(5,15(21)22)8(7)13(17)18/h6,8H,1-5H3/t8-,11-,12+/m0/s1
InChIKey HBASZHSLLCTROR-KPXOXKRLSA-N
Mol Weight 315.28 g/mol
Molecular Formula C12H17N3O7
Exact Mass 315.10665 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4cGcA8tJx9y
Name 4-TERT.-BUTYL-2,6-DIMETHYL-R-2,T-5,C-6-TRINITROCYCLOHEX-3-ENONE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H17N3O7
InChI InChI=1S/C12H17N3O7/c1-10(2,3)7-6-11(4,14(19)20)9(16)12(5,15(21)22)8(7)13(17)18/h6,8H,1-5H3/t8-,11-,12+/m0/s1
InChIKey HBASZHSLLCTROR-KPXOXKRLSA-N
Literature Reference Author J.W.BLUNT,M.P.HARTSHORN,R.G.JENSEN,A.G.WALLER,G.J.WRIGHT
Literature Reference Citation AUSTR.J.CHEM.,42,675(1989)
Literature Reference DOI 10.1071/ch9890675
Molecular Weight 315.283 g/mol
Solvent CDCl3
Source File Reference UWRU6143