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1-[2-(5-Bromonicotinoyloxyl)eth-1-yl]-4-[(E)-1,2-(dimethoxycarbonyl)ethen-1-yl]piperazine
SpectraBase Compound ID C6OrYb0F3Z3
InChI InChI=1S/C18H22BrN3O6/c1-26-16(23)10-15(18(25)27-2)22-5-3-21(4-6-22)7-8-28-17(24)13-9-14(19)12-20-11-13/h9-12H,3-8H2,1-2H3/b15-10+
InChIKey RLTKSDQEZXFGEF-XNTDXEJSSA-N
Mol Weight 456.29 g/mol
Molecular Formula C18H22BrN3O6
Exact Mass 455.069198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9qd4SAuswfs
Name 1-[2-(5-Bromonicotinoyloxyl)eth-1-yl]-4-[(E)-1,2-(dimethoxycarbonyl)ethen-1-yl]piperazine
Alternate Name(s) Dimethyl 2-(4-(2-((5-bromonicotinoyl)oxy)ethyl)piperazin-1-yl)maleate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22BrN3O6
InChI InChI=1S/C18H22BrN3O6/c1-26-16(23)10-15(18(25)27-2)22-5-3-21(4-6-22)7-8-28-17(24)13-9-14(19)12-20-11-13/h9-12H,3-8H2,1-2H3/b15-10+
InChIKey RLTKSDQEZXFGEF-XNTDXEJSSA-N
Literature Reference DOI 10.1039/c4ra14811h
Molecular Weight 456.293 g/mol
SMILES c1(cc(cnc1)Br)C(=O)OCCN1CCN(CC1)\C(=C\C(=O)OC)C(=O)OC
SPLASH splash10-0006-1291100000-f6883cbb8819922ed518
Source of Spectrum RSA-5-10768/SM-30a
Wiley ID 1760189