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4-CHLORO-2,5,6-TRIMETHYL-R-2,T-5,T-6-TRINITROCYCLOHEX-3-ENONE
SpectraBase Compound ID U6IXht2dUv
InChI InChI=1S/C9H10ClN3O7/c1-7(11(15)16)4-5(10)8(2,12(17)18)9(3,6(7)14)13(19)20/h4H,1-3H3/t7-,8-,9+/m0/s1
InChIKey PTCSVWUNHKBOLQ-XHNCKOQMSA-N
Mol Weight 307.65 g/mol
Molecular Formula C9H10ClN3O7
Exact Mass 307.020727 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K4R0js7KGcZ
Name 4-CHLORO-2,5,6-TRIMETHYL-R-2,T-5,T-6-TRINITROCYCLOHEX-3-ENONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H10ClN3O7
InChI InChI=1S/C9H10ClN3O7/c1-7(11(15)16)4-5(10)8(2,12(17)18)9(3,6(7)14)13(19)20/h4H,1-3H3/t7-,8-,9+/m0/s1
InChIKey PTCSVWUNHKBOLQ-XHNCKOQMSA-N
Literature Reference Author J.L.CALVERT,M.P.HARTSHORN,W.T.ROBINSON,G.J.WRIGHT
Literature Reference Citation AUSTR.J.CHEM.,46,1629(1993)
Literature Reference DOI 10.1071/ch9931629
Molecular Weight 307.647 g/mol
Solvent CDCl3
Source File Reference UWTS4143