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1,4-Dimethyl-3,6-bis[(2S)-3,3,3-trichloro-2-methyl-propyl]piperazine-2,5-dione

View entire compound with spectra: 1 MS (GC)

1,4-Dimethyl-3,6-bis[(2S)-3,3,3-trichloro-2-methyl-propyl]piperazine-2,5-dione
SpectraBase Compound ID 8PnTcukm94d
InChI InChI=1S/C14H20Cl6N2O2/c1-7(13(15,16)17)5-9-11(23)22(4)10(12(24)21(9)3)6-8(2)14(18,19)20/h7-10H,5-6H2,1-4H3/t7-,8-,9-,10-/m0/s1
InChIKey FAXNAEOPEXUENY-XKNYDFJKSA-N
Mol Weight 461.0 g/mol
Molecular Formula C14H20Cl6N2O2
Exact Mass 457.965594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KFyf1KZAY0
Name 1,4-Dimethyl-3,6-bis[(2S)-3,3,3-trichloro-2-methyl-propyl]piperazine-2,5-dione
Alternate Name(s) 1,4-Dimethyl-3,6-bis[(2S)-3,3,3-trichloro-2-methyl-propyl]piperazine-2,5-quinone 1,4-Dimethyl-3,6-bis[(2S)-3,3,3-tris(chloranyl)-2-methyl-propyl]piperazine-2,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20Cl6N2O2
InChI InChI=1S/C14H20Cl6N2O2/c1-7(13(15,16)17)5-9-11(23)22(4)10(12(24)21(9)3)6-8(2)14(18,19)20/h7-10H,5-6H2,1-4H3/t7-,8-,9-,10-/m0/s1
InChIKey FAXNAEOPEXUENY-XKNYDFJKSA-N
Molecular Weight 461.044 g/mol
SMILES C1(N([C@](C(N([C@]1(C[C@@](C(Cl)(Cl)Cl)(C)[H])[H])C)=O)(C[C@@](C(Cl)(Cl)Cl)(C)[H])[H])C)=O
SPLASH splash10-0v09-0395100000-a9a793da20bd57f28efb
Source of Spectrum X2-56-641-1
Wiley ID 1604865