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1-[2-(4-Cyanobenzoyloxyl)eth-1-yl]-4-[(E)-1,2-(dimethoxycarbonyl)ethen-1-yl]piperazine
SpectraBase Compound ID 4YGfnNTDqx
InChI InChI=1S/C20H23N3O6/c1-27-18(24)13-17(20(26)28-2)23-9-7-22(8-10-23)11-12-29-19(25)16-5-3-15(14-21)4-6-16/h3-6,13H,7-12H2,1-2H3/b17-13+
InChIKey UNYDLBNRLHWASR-GHRIWEEISA-N
Mol Weight 401.42 g/mol
Molecular Formula C20H23N3O6
Exact Mass 401.158685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AA3tm0zU5Wy
Name 1-[2-(4-Cyanobenzoyloxyl)eth-1-yl]-4-[(E)-1,2-(dimethoxycarbonyl)ethen-1-yl]piperazine
Alternate Name(s) Dimethyl 2-(4-(2-((4-cyanobenzoyl)oxy)ethyl)piperazin-1-yl)maleate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23N3O6
InChI InChI=1S/C20H23N3O6/c1-27-18(24)13-17(20(26)28-2)23-9-7-22(8-10-23)11-12-29-19(25)16-5-3-15(14-21)4-6-16/h3-6,13H,7-12H2,1-2H3/b17-13+
InChIKey UNYDLBNRLHWASR-GHRIWEEISA-N
Literature Reference DOI 10.1039/c4ra14811h
Molecular Weight 401.419 g/mol
SMILES C(=O)(OCCN1CCN(CC1)\C(=C\C(=O)OC)C(=O)OC)c1ccc(cc1)C#N
SPLASH splash10-0006-2592000000-b4a89506912a987249c8
Source of Spectrum RSA-5-10768/SM-9a
Wiley ID 1760221