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Ethyl 5-bromo-1-{(4-methoxyphenyl)amino}-1-methyl-2,3-dihydro-1H-indene-2-carboxylate
SpectraBase Compound ID Fkc1o2oWZj7
InChI InChI=1S/C20H22BrNO3/c1-4-25-19(23)18-12-13-11-14(21)5-10-17(13)20(18,2)22-15-6-8-16(24-3)9-7-15/h5-11,18,22H,4,12H2,1-3H3/t18-,20-/m0/s1
InChIKey XMLYJSOABIEFHH-ICSRJNTNSA-N
Mol Weight 404.3 g/mol
Molecular Formula C20H22BrNO3
Exact Mass 403.078307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ic1zHY84nnJ
Name Ethyl 5-bromo-1-{(4-methoxyphenyl)amino}-1-methyl-2,3-dihydro-1H-indene-2-carboxylate
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Formula C20H22BrNO3
InChI InChI=1S/C20H22BrNO3/c1-4-25-19(23)18-12-13-11-14(21)5-10-17(13)20(18,2)22-15-6-8-16(24-3)9-7-15/h5-11,18,22H,4,12H2,1-3H3/t18-,20-/m0/s1
InChIKey XMLYJSOABIEFHH-ICSRJNTNSA-N
Literature Reference DOI 10.1002/anie.201411808
Molecular Weight 404.304 g/mol
SMILES N(c1ccc(cc1)OC)[C@]1(C)[C@](C(=O)OCC)(Cc2c1ccc(c2)Br)[H]
SPLASH splash10-0ae9-0970100000-29ee86ab78808ba7e029
Source of Spectrum ACI-54-4092/SMS9-3ea
Synonyms (1R,2R)-ethyl 5-bromo-1-((4-methoxyphenyl)amino)-1-methyl-2,3-dihydro-1H-indene-2-carboxylate
Wiley ID 1760503