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(E)-N-(p-4-Methoxyphenyl)-4-(3-bromo-1-acetoxybut-3-en-1-yl)-3-ethylidene-2-azetidinone
SpectraBase Compound ID HISuD7l53VK
InChI InChI=1S/C18H20BrNO4/c1-5-15-17(16(10-11(2)19)24-12(3)21)20(18(15)22)13-6-8-14(23-4)9-7-13/h5-9,16-17H,2,10H2,1,3-4H3/b15-5+/t16-,17-/m1/s1
InChIKey AUVBASAZJHEKEQ-KZIQZQBPSA-N
Mol Weight 394.27 g/mol
Molecular Formula C18H20BrNO4
Exact Mass 393.057571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49AO8OHqftn
Name (E)-N-(p-4-Methoxyphenyl)-4-(3-bromo-1-acetoxybut-3-en-1-yl)-3-ethylidene-2-azetidinone
Comments Less than 3 mono-isotopic peaks
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Formula C18H20BrNO4
InChI InChI=1S/C18H20BrNO4/c1-5-15-17(16(10-11(2)19)24-12(3)21)20(18(15)22)13-6-8-14(23-4)9-7-13/h5-9,16-17H,2,10H2,1,3-4H3/b15-5+/t16-,17-/m1/s1
InChIKey AUVBASAZJHEKEQ-KZIQZQBPSA-N
Molecular Weight 394.265 g/mol
SMILES C1(\C([C@@](N1c1ccc(cc1)OC)([C@@](CC(=C)Br)(OC(=O)C)[H])[H])=C\C)=O
SPLASH splash10-0002-0903000000-6d1e4583ea2d8c40cb71
Source of Spectrum F-70-2718-15
Synonyms acetic acid [(1R)-3-bromo-1-[(2R,3E)-3-ethylidene-1-(4-methoxyphenyl)-4-oxo-2-azetidinyl]but-3-enyl] ester [(1R)-3-bromo-1-[(2R,3E)-3-ethylidene-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]but-3-enyl] acetate [(1R)-3-bromo-1-[(2R,3E)-3-ethylidene-1-(4-methoxyphenyl)-4-oxo-azetidin-2-yl]but-3-enyl] acetate [(1R)-3-bromanyl-1-[(2R,3E)-3-ethylidene-1-(4-methoxyphenyl)-4-oxidanylidene-azetidin-2-yl]but-3-enyl] ethanoate
Wiley ID 1596621