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4-TERT.-BUTYL-2,6-DIMETHYL-R-2,TRANS-5,TRANS-6-TRINITROCYCLOHEX-3-ENONE
SpectraBase Compound ID E63tERF1u91
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-/m1/s1
InChIKey HBASZHSLLCTROR-GGZOMVNGSA-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 BhivopzdPx1
Name 4-TERT.-BUTYL-2,6-DIMETHYL-R-2,TRANS-5,TRANS-6-TRINITROCYCLOHEX-3-ENONE
Compound Number 20
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-/m1/s1
InChIKey HBASZHSLLCTROR-GGZOMVNGSA-N
Literature Reference Author M.P.HARTSHORN,B.R.PENFOLD,K.H.SUTTON,J.VAUGHAN
Literature Reference Citation AUSTR.J.CHEM.,37,809(1984)
Literature Reference DOI 10.1071/ch9840809
Molecular Weight 315.283 g/mol
Solvent ACETONE-D6
Source File Reference UWWR782