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(3Z,6R)-3-(3,3-dichloro-2-methyl-prop-2-enylidene)-1,4-dimethyl-6-[(2S)-3,3,3-trichloro-2-methyl-propyl]piperazine-2,5-quinone

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(3Z,6R)-3-(3,3-dichloro-2-methyl-prop-2-enylidene)-1,4-dimethyl-6-[(2S)-3,3,3-trichloro-2-methyl-propyl]piperazine-2,5-quinone
SpectraBase Compound ID E7jyWviW5Vg
InChI InChI=1S/C14H17Cl5N2O2/c1-7(11(15)16)5-9-12(22)21(4)10(13(23)20(9)3)6-8(2)14(17,18)19/h5,8,10H,6H2,1-4H3/b9-5-/t8-,10+/m0/s1
InChIKey GSTRDEBFQFLBIV-FBACALJWSA-N
Mol Weight 422.6 g/mol
Molecular Formula C14H17Cl5N2O2
Exact Mass 419.973266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 99Uhevj83Lx
Name (3Z,6R)-3-(3,3-dichloro-2-methyl-prop-2-enylidene)-1,4-dimethyl-6-[(2S)-3,3,3-trichloro-2-methyl-propyl]piperazine-2,5-quinone
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H17Cl5N2O2
InChI InChI=1S/C14H17Cl5N2O2/c1-7(11(15)16)5-9-12(22)21(4)10(13(23)20(9)3)6-8(2)14(17,18)19/h5,8,10H,6H2,1-4H3/b9-5-/t8-,10+/m0/s1
InChIKey GSTRDEBFQFLBIV-FBACALJWSA-N
Literature Reference Author X.FU,M.L.G.FERREIRA,F.J.SCHMITZ,M.KELLY-BORGES
Literature Reference Citation J.NAT.PROD.,61,1226(1998)
Literature Reference DOI 10.1021/np980123l
Molecular Weight 422.566 g/mol
Solvent CDCl3
Source File Reference UWMZ905