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N-[.beta.-(2-Bromo-4,5-dimethoxyphenyl)ethyl]-N-formyl-3-amino-1-indanone
SpectraBase Compound ID GyfrhaL61mo
InChI InChI=1S/C20H20BrNO4/c1-25-19-9-13(16(21)10-20(19)26-2)7-8-22(12-23)17-11-18(24)15-6-4-3-5-14(15)17/h3-6,9-10,12,17H,7-8,11H2,1-2H3
InChIKey LIRLVUMWLMVVCJ-UHFFFAOYSA-N
Mol Weight 418.29 g/mol
Molecular Formula C20H20BrNO4
Exact Mass 417.057571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GStcIJzfgQu
Name N-[.beta.-(2-Bromo-4,5-dimethoxyphenyl)ethyl]-N-formyl-3-amino-1-indanone
Alternate Name(s) 2-(2-bromo-4,5-dimethoxyphenyl)ethyl(3-oxo-2,3-dihydro-1H-inden-1-yl)formamide
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Formula C20H20BrNO4
InChI InChI=1S/C20H20BrNO4/c1-25-19-9-13(16(21)10-20(19)26-2)7-8-22(12-23)17-11-18(24)15-6-4-3-5-14(15)17/h3-6,9-10,12,17H,7-8,11H2,1-2H3
InChIKey LIRLVUMWLMVVCJ-UHFFFAOYSA-N
Molecular Weight 418.287 g/mol
SMILES C1(CC(=O)c2c1cccc2)N(C=O)CCc1c(cc(c(c1)OC)OC)Br
SPLASH splash10-001l-0590000000-1cada9c9f8c63fee2ac4
Source of Spectrum H1-39-585-6
Wiley ID 756761