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(E)-1-[3-(3,5-DiBromo-4-methoxyphenyl)acryloyl]piperidin-2-one
SpectraBase Compound ID 4vBmBTv2pdE
InChI InChI=1S/C15H15Br2NO3/c1-21-15-11(16)8-10(9-12(15)17)5-6-14(20)18-7-3-2-4-13(18)19/h5-6,8-9H,2-4,7H2,1H3/b6-5+
InChIKey NKSRDRMCBWMOTO-AATRIKPKSA-N
Mol Weight 417.1 g/mol
Molecular Formula C15H15Br2NO3
Exact Mass 414.941869 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LttEupDtYNy
Name (E)-1-[3-(3,5-DiBromo-4-methoxyphenyl)acryloyl]piperidin-2-one
Appearance Colorless solid
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Formula C15H15Br2NO3
InChI InChI=1S/C15H15Br2NO3/c1-21-15-11(16)8-10(9-12(15)17)5-6-14(20)18-7-3-2-4-13(18)19/h5-6,8-9H,2-4,7H2,1H3/b6-5+
InChIKey NKSRDRMCBWMOTO-AATRIKPKSA-N
Instrument Name Thermo Finnigan MAT 8500
Ionization Type EI
Literature Reference DOI 10.1002/cmdc.202300132
Molecular Weight 417.097 g/mol
Quality 295
SMILES C1(=CC(=CC(=C1OC)Br)\C=C\C(N1C(CCCC1)=O)=O)Br
SPLASH splash10-014i-5279600000-f6505f5a9d9c0a211c7a
Source of Spectrum CMC-18-9-7c (DOI: 10.1002/cmdc.202300132)
Thin-Layer Chromatography 0.45 (ethyl acetate/n-hexane, 1:2)
Wiley ID 1910322