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1-METHYL-3-(3,3,3-TRICHLORO-2-METHYLPROPYL)-6-(3,3,3-TRICHLORO-2-METHYLPROPYLIDENE)-PIPERAZINE-2,5-DIONE
SpectraBase Compound ID AzPoeuaXY6K
InChI InChI=1S/C13H16Cl6N2O2/c1-6(12(14,15)16)4-8-11(23)21(3)9(10(22)20-8)5-7(2)13(17,18)19/h5-8H,4H2,1-3H3,(H,20,22)/b9-5+/t6-,7+,8+/m0/s1
InChIKey SQXOACQRLIPUKW-GHDKWEPESA-N
Mol Weight 445.0 g/mol
Molecular Formula C13H16Cl6N2O2
Exact Mass 441.934294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A0fewx8mBMI
Name 1-METHYL-3-(3,3,3-TRICHLORO-2-METHYLPROPYL)-6-(3,3,3-TRICHLORO-2-METHYLPROPYLIDENE)-PIPERAZINE-2,5-DIONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16Cl6N2O2
InChI InChI=1S/C13H16Cl6N2O2/c1-6(12(14,15)16)4-8-11(23)21(3)9(10(22)20-8)5-7(2)13(17,18)19/h5-8H,4H2,1-3H3,(H,20,22)/b9-5+/t6-,7+,8+/m0/s1
InChIKey SQXOACQRLIPUKW-GHDKWEPESA-N
Literature Reference Author E.J.DUMDEI,J.S.SIMPSON,M.J.GARSON,K.A.BYRIEL,C.H.L.KENNARD
Literature Reference Citation AUSTR.J.CHEM.,50,139(1997)
Literature Reference DOI 10.1071/C96111
Molecular Weight 445.000 g/mol
Solvent Unknown
Source File Reference UWCS16411