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1-[(E)-1,2(Dimethoxycarbonyl)ethen-1-yl]-4-{2-[N-[(E)-1,2-di(methoxycarbonyl)ethen-1-yl]-(S)-pyrrolidine-2-carboyloxyl]eth-1-yl}piperazine
SpectraBase Compound ID DsOzMloFacl
InChI InChI=1S/C23H33N3O10/c1-32-19(27)14-17(21(29)34-3)25-10-8-24(9-11-25)12-13-36-23(31)16-6-5-7-26(16)18(22(30)35-4)15-20(28)33-2/h14-16H,5-13H2,1-4H3/b17-14+,18-15+/t16-/m0/s1
InChIKey KQTILXWHMWSXHD-MDLBNFOKSA-N
Mol Weight 511.5 g/mol
Molecular Formula C23H33N3O10
Exact Mass 511.216594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7dFwtd26bGZ
Name 1-[(E)-1,2(Dimethoxycarbonyl)ethen-1-yl]-4-{2-[N-[(E)-1,2-di(methoxycarbonyl)ethen-1-yl]-(S)-pyrrolidine-2-carboyloxyl]eth-1-yl}piperazine
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Formula C23H33N3O10
InChI InChI=1S/C23H33N3O10/c1-32-19(27)14-17(21(29)34-3)25-10-8-24(9-11-25)12-13-36-23(31)16-6-5-7-26(16)18(22(30)35-4)15-20(28)33-2/h14-16H,5-13H2,1-4H3/b17-14+,18-15+/t16-/m0/s1
InChIKey KQTILXWHMWSXHD-MDLBNFOKSA-N
Literature Reference DOI 10.1039/c4ra14811h
Molecular Weight 511.528 g/mol
SMILES C(\C(=C/C(=O)OC)N1CCC[C@]1(C(OCCN1CCN(CC1)\C(=C\C(=O)OC)C(=O)OC)=O)[H])(=O)OC
SPLASH splash10-03di-3290180000-b376db4f2384d00160dc
Source of Spectrum RSA-5-10768/SM-52a
Synonyms Dimethyl 2-((S)-2-((2-(4-((E)-1,4-dimethoxy-1,4-dioxobut-2-en-2-yl)piperazin-1-yl)ethoxy)carbonyl)pyrrolidin-1-yl)maleate
Wiley ID 1760216