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3,3,6,6-Tetramethyl piperazine-2,5-bis(N,N-dimethyliminium)dipicrate
SpectraBase Compound ID 2rITeG1BkRD
InChI InChI=1S/C12H24N4.2C6H3N3O7/c1-11(2)9(15(5)6)14-12(3,4)10(13-11)16(7)8;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-8H3;2*1-2,10H
InChIKey CYYDDWQJYYCQGM-UHFFFAOYSA-N
Mol Weight 682.56 g/mol
Molecular Formula C24H30N10O14
Exact Mass 682.194296 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4vN1HvhzwGY
Name 3,3,6,6-Tetramethyl piperazine-2,5-bis(N,N-dimethyliminium)dipicrate
Comments Computed using HOSE algorithm
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Exact Mass 682.194295672 u
Formula C24H30N10O14
InChI InChI=1S/C12H24N4.2C6H3N3O7/c1-11(2)9(15(5)6)14-12(3,4)10(13-11)16(7)8;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-8H3;2*1-2,10H
InChIKey CYYDDWQJYYCQGM-UHFFFAOYSA-N
SMILES C1(NC(C)(C)C(NC1(C)C)=[N+](C)C)=[N+](C)C.C=1(C(=C(N(=O)=O)C=C(N(=O)=O)C1)[O-])N(=O)=O.C=1(C(=C(N(=O)=O)C=C(N(=O)=O)C1)[O-])N(=O)=O