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3S,6S-BIS-(2-METHOXY-3,5-DINITROBENZYL)-PIPERAZINE-2,5-DIONE

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3S,6S-BIS-(2-METHOXY-3,5-DINITROBENZYL)-PIPERAZINE-2,5-DIONE
SpectraBase Compound ID FViM9pPTcBL
InChI InChI=1S/C20H18N6O12/c1-37-17-9(3-11(23(29)30)7-15(17)25(33)34)5-13-19(27)22-14(20(28)21-13)6-10-4-12(24(31)32)8-16(26(35)36)18(10)38-2/h3-4,7-8,13-14H,5-6H2,1-2H3,(H,21,28)(H,22,27)/t13-,14-/m0/s1
InChIKey WZDJWSUMNDQZKB-KBPBESRZSA-N
Mol Weight 534.39 g/mol
Molecular Formula C20H18N6O12
Exact Mass 534.09827 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8MsmXERcexk
Name 3S,6S-BIS-(2-METHOXY-3,5-DINITROBENZYL)-PIPERAZINE-2,5-DIONE
Compound Number LL-10
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H18N6O12/c1-37-17-9(3-11(23(29)30)7-15(17)25(33)34)5-13-19(27)22-14(20(28)21-13)6-10-4-12(24(31)32)8-16(26(35)36)18(10)38-2/h3-4,7-8,13-14H,5-6H2,1-2H3,(H,21,28)(H,22,27)/t13-,14-/m0/s1
InChIKey WZDJWSUMNDQZKB-KBPBESRZSA-N
Literature Reference S.N.DANTHI,R.A.HILL J.HETCYCL.CHEM.,34,835(1997)
Solvent Dimethyl sulfoxide-d6