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1-[2-(2-Bromobenzoyloxyl)eth-1-yl]-4-[(E)-1,2-(dimethoxycarbonyl)ethen-1-yl]piperazine
SpectraBase Compound ID BUiJULqaDo3
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)14-5-3-4-6-15(14)20/h3-6,13H,7-12H2,1-2H3/b16-13+
InChIKey WOTNOZWCBAGWSV-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 CTQT7uxMJZT
Name 1-[2-(2-Bromobenzoyloxyl)eth-1-yl]-4-[(E)-1,2-(dimethoxycarbonyl)ethen-1-yl]piperazine
Alternate Name(s) Dimethyl 2-(4-(2-((2-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)14-5-3-4-6-15(14)20/h3-6,13H,7-12H2,1-2H3/b16-13+
InChIKey WOTNOZWCBAGWSV-DTQAZKPQSA-N
Literature Reference DOI 10.1039/c4ra14811h
Molecular Weight 455.305 g/mol
SMILES C(=O)(OCCN1CCN(CC1)\C(=C\C(=O)OC)C(=O)OC)c1c(cccc1)Br
SPLASH splash10-0006-0291100000-cc460639a0df6209fdac
Source of Spectrum RSA-5-10768/SM-12a
Wiley ID 1760166