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1-[(E)-1,2-(Dimethoxycarbonyl)ethen-1-yl]-4-[2-(2-(phenylamino)benzoyloxyl)eth-1-yl]piperazine
SpectraBase Compound ID LD33nEOw8fX
InChI InChI=1S/C25H29N3O6/c1-32-23(29)18-22(25(31)33-2)28-14-12-27(13-15-28)16-17-34-24(30)20-10-6-7-11-21(20)26-19-8-4-3-5-9-19/h3-11,18,26H,12-17H2,1-2H3/b22-18+
InChIKey QWXFIYNJLBMOLJ-RELWKKBWSA-N
Mol Weight 467.52 g/mol
Molecular Formula C25H29N3O6
Exact Mass 467.205636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3f6FcweSg4
Name 1-[(E)-1,2-(Dimethoxycarbonyl)ethen-1-yl]-4-[2-(2-(phenylamino)benzoyloxyl)eth-1-yl]piperazine
Alternate Name(s) Dimethyl 2-(4-(2-((2-(phenylamino)benzoyl)oxy)ethyl)piperazin-1-yl)maleate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H29N3O6
InChI InChI=1S/C25H29N3O6/c1-32-23(29)18-22(25(31)33-2)28-14-12-27(13-15-28)16-17-34-24(30)20-10-6-7-11-21(20)26-19-8-4-3-5-9-19/h3-11,18,26H,12-17H2,1-2H3/b22-18+
InChIKey QWXFIYNJLBMOLJ-RELWKKBWSA-N
Literature Reference DOI 10.1039/c4ra14811h
Molecular Weight 467.522 g/mol
SMILES N(c1c(C(=O)OCCN2CCN(CC2)\C(C(=O)OC)=C/C(=O)OC)cccc1)c1ccccc1
SPLASH splash10-0007-7950200000-3a1c9dfcb60de243bbc3
Source of Spectrum RSA-5-10768/SM-45a
Wiley ID 1760207