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(1R,5R)-5-bromo-3-methyl-9-[2-oxo-2-(2-hydroxy-3-methoxyphenyl)-E-ethylidene]-3-azabicyclo[3.3,1]nonanecarboxylic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

(1R,5R)-5-bromo-3-methyl-9-[2-oxo-2-(2-hydroxy-3-methoxyphenyl)-E-ethylidene]-3-azabicyclo[3.3,1]nonanecarboxylic acid ethyl ester
SpectraBase Compound ID LO6cUZKINy
InChI InChI=1S/C21H26BrNO5/c1-4-28-19(26)20-9-6-10-21(22,13-23(2)12-20)17(20)11-15(24)14-7-5-8-16(27-3)18(14)25/h5,7-8,11,25H,4,6,9-10,12-13H2,1-3H3/b17-11+/t20-,21+/m1/s1
InChIKey RAXPQORJQCNSLS-NVZVLPPGSA-N
Mol Weight 452.35 g/mol
Molecular Formula C21H26BrNO5
Exact Mass 451.099436 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GbCBOZAduZU
Name (1R,5R)-5-bromo-3-methyl-9-[2-oxo-2-(2-hydroxy-3-methoxyphenyl)-E-ethylidene]-3-azabicyclo[3.3,1]nonanecarboxylic acid ethyl ester
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Formula C21H26BrNO5
InChI InChI=1S/C21H26BrNO5/c1-4-28-19(26)20-9-6-10-21(22,13-23(2)12-20)17(20)11-15(24)14-7-5-8-16(27-3)18(14)25/h5,7-8,11,25H,4,6,9-10,12-13H2,1-3H3/b17-11+/t20-,21+/m1/s1
InChIKey RAXPQORJQCNSLS-NVZVLPPGSA-N
Molecular Weight 452.345 g/mol
SMILES Oc1c(C(\C=C/2[C@]3(C(=O)OCC)CN(C[C@@]2(Br)CCC3)C)=O)cccc1OC
SPLASH splash10-0uka-0934000000-609f3105a1c59cfd1d10
Source of Spectrum KC-61-3775-16
Synonyms Ethyl (1S,5R,9E)-5-bromo-9-[2-(2-hydroxy-3-methoxyphenyl)-2-oxoethylidene]-3-methyl-3-azabicyclo[3.3.1]nonane-1-carboxylate Ethyl 5-bromo-3-methyl-9-[2-oxo-2-(2-hydroxy-3-methoxyphenyl)-E-ethylidene]-3-azabicyclo[3.3,1]nonanecarboxylate
Wiley ID 1628679