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1-[(E)-1,2-(Dimethoxycarbonyl)ethen-1-yl]-4-[2-(4-((E)-1,2-di(methoxycarbonyl)vinylamino)benzoyloxyl)eth-1-yl]piperazine
SpectraBase Compound ID 3TLqEyZ1iNg
InChI InChI=1S/C25H31N3O10/c1-34-21(29)15-19(24(32)36-3)26-18-7-5-17(6-8-18)23(31)38-14-13-27-9-11-28(12-10-27)20(25(33)37-4)16-22(30)35-2/h5-8,15-16,26H,9-14H2,1-4H3/b19-15+,20-16+
InChIKey JCHFEPRMXXOBSZ-MXWIWYRXSA-N
Mol Weight 533.53 g/mol
Molecular Formula C25H31N3O10
Exact Mass 533.200944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKqE0ew6CqB
Name 1-[(E)-1,2-(Dimethoxycarbonyl)ethen-1-yl]-4-[2-(4-((E)-1,2-di(methoxycarbonyl)vinylamino)benzoyloxyl)eth-1-yl]piperazine
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Formula C25H31N3O10
InChI InChI=1S/C25H31N3O10/c1-34-21(29)15-19(24(32)36-3)26-18-7-5-17(6-8-18)23(31)38-14-13-27-9-11-28(12-10-27)20(25(33)37-4)16-22(30)35-2/h5-8,15-16,26H,9-14H2,1-4H3/b19-15+,20-16+
InChIKey JCHFEPRMXXOBSZ-MXWIWYRXSA-N
Literature Reference DOI 10.1039/c4ra14811h
Molecular Weight 533.534 g/mol
SMILES N(c1ccc(C(=O)OCCN2CCN(CC2)\C(C(=O)OC)=C/C(=O)OC)cc1)\C(=C\C(OC)=O)C(=O)OC
SPLASH splash10-0006-1592000000-2b821422baafb427eb7e
Source of Spectrum RSA-5-10768/SM-50a
Synonyms Dimethyl 2-(4-(2-((4-(((E)-1,4-dimethoxy-1,4-dioxobut-2-en-2-yl)amino)benzoyl)oxy)ethyl)piperazin-1-yl)maleate
Wiley ID 1760214