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1-[2-(4-Bromobenzoyloxyl)eth-1-yl]-4-[(E)-(2-methoxycarbonyl)ethen-1-yl]piperazine
SpectraBase Compound ID 9vxGe8VW4Gm
InChI InChI=1S/C17H21BrN2O4/c1-23-16(21)6-7-19-8-10-20(11-9-19)12-13-24-17(22)14-2-4-15(18)5-3-14/h2-7H,8-13H2,1H3/b7-6+
InChIKey WTXLDPXSABTNHV-VOTSOKGWSA-N
Mol Weight 397.27 g/mol
Molecular Formula C17H21BrN2O4
Exact Mass 396.06847 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 946sPt9rdUf
Name 1-[2-(4-Bromobenzoyloxyl)eth-1-yl]-4-[(E)-(2-methoxycarbonyl)ethen-1-yl]piperazine
Alternate Name(s) (E)-2-(4-(3-methoxy-3-oxoprop-1-en-1-yl)piperazin-1-yl)ethyl 4-bromobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21BrN2O4
InChI InChI=1S/C17H21BrN2O4/c1-23-16(21)6-7-19-8-10-20(11-9-19)12-13-24-17(22)14-2-4-15(18)5-3-14/h2-7H,8-13H2,1H3/b7-6+
InChIKey WTXLDPXSABTNHV-VOTSOKGWSA-N
Literature Reference DOI 10.1039/c4ra14811h
Molecular Weight 397.269 g/mol
SMILES c1(C(=O)OCCN2CCN(\C=C\C(=O)OC)CC2)ccc(cc1)Br
SPLASH splash10-0udi-7690000000-76fa2df1ce3d11d2fd33
Source of Spectrum RSA-5-10768/SM-27a
Wiley ID 1760183