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1-[2-(4-Bromobenzoyloxyl)eth-1-yl]-4-[(E)-1,2-(dimethoxycarbonyl)ethen-1-yl]piperazine
SpectraBase Compound ID IgSGcsokwcp
InChI InChI=1S/C19H23BrN2O6/c1-26-17(23)13-16(19(25)27-2)22-9-7-21(8-10-22)11-12-28-18(24)14-3-5-15(20)6-4-14/h3-6,13H,7-12H2,1-2H3/b16-13+
InChIKey AEZZJFRBVGKHQU-DTQAZKPQSA-N
Mol Weight 455.31 g/mol
Molecular Formula C19H23BrN2O6
Exact Mass 454.073949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5vEEofLaKGy
Name 1-[2-(4-Bromobenzoyloxyl)eth-1-yl]-4-[(E)-1,2-(dimethoxycarbonyl)ethen-1-yl]piperazine
Alternate Name(s) Dimethyl 2-(4-(2-((4-bromobenzoyl)oxy)ethyl)piperazin-1-yl)maleate
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Formula C19H23BrN2O6
InChI InChI=1S/C19H23BrN2O6/c1-26-17(23)13-16(19(25)27-2)22-9-7-21(8-10-22)11-12-28-18(24)14-3-5-15(20)6-4-14/h3-6,13H,7-12H2,1-2H3/b16-13+
InChIKey AEZZJFRBVGKHQU-DTQAZKPQSA-N
Literature Reference DOI 10.1039/c4ra14811h
Molecular Weight 455.305 g/mol
SMILES c1c(Br)ccc(C(OCCN2CCN(CC2)\C(C(=O)OC)=C/C(=O)OC)=O)c1
SPLASH splash10-0006-1290000000-1fa87be8045544f6f5ee
Source of Spectrum RSA-5-10768/SM-1a
Wiley ID 1760174