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2,4,5,6-TETRAMETHYL-R-2,C-5,T-6-TRINITROCYCLOHEX-3-ENONE
SpectraBase Compound ID deHVhV9fgh
InChI InChI=1S/C10H13N3O7/c1-6-5-8(2,11(15)16)7(14)10(4,13(19)20)9(6,3)12(17)18/h5H,1-4H3/t8-,9+,10+/m0/s1
InChIKey YSRNPTOGHPHASS-IVZWLZJFSA-N
Mol Weight 287.23 g/mol
Molecular Formula C10H13N3O7
Exact Mass 287.07535 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KM5D5RZKQIp
Name 2,4,5,6-TETRAMETHYL-R-2,C-5,T-6-TRINITROCYCLOHEX-3-ENONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H13N3O7
InChI InChI=1S/C10H13N3O7/c1-6-5-8(2,11(15)16)7(14)10(4,13(19)20)9(6,3)12(17)18/h5H,1-4H3/t8-,9+,10+/m0/s1
InChIKey YSRNPTOGHPHASS-IVZWLZJFSA-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 287.229 g/mol
Solvent C6D6
Source File Reference UWTS4147