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(S)-2-(5-Bromo-1H-indol-3-yl)-1,4-dip-tolylbutane-1,4-dione
SpectraBase Compound ID A04KSsIqLoz
InChI InChI=1S/C26H22BrNO2/c1-16-3-7-18(8-4-16)25(29)14-22(26(30)19-9-5-17(2)6-10-19)23-15-28-24-12-11-20(27)13-21(23)24/h3-13,15,22,28H,14H2,1-2H3/t22-/m0/s1
InChIKey NNOCSAKESRRZFK-QFIPXVFZSA-N
Mol Weight 460.37 g/mol
Molecular Formula C26H22BrNO2
Exact Mass 459.083392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID s2itHeOB6
Name (S)-2-(5-Bromo-1H-indol-3-yl)-1,4-dip-tolylbutane-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22BrNO2
InChI InChI=1S/C26H22BrNO2/c1-16-3-7-18(8-4-16)25(29)14-22(26(30)19-9-5-17(2)6-10-19)23-15-28-24-12-11-20(27)13-21(23)24/h3-13,15,22,28H,14H2,1-2H3/t22-/m0/s1
InChIKey NNOCSAKESRRZFK-QFIPXVFZSA-N
Literature Reference DOI 10.1002/adsc.200900357
Molecular Weight 460.371 g/mol
SMILES [nH]1c2ccc(cc2c(c1)[C@@](C(=O)c1ccc(cc1)C)(CC(=O)c1ccc(cc1)C)[H])Br
SPLASH splash10-0005-0100900000-18aa202b74427ff9d9d5
Source of Spectrum ASC-351-2433/SM7-3db
Synonyms (S)-2-(5-bromo-1H-indol-3-yl)-1,4-di-p-tolylbutane-1,4-dione (2S)-2-(5-bromo-1H-indol-3-yl)-1,4-bis(4-methylphenyl)butane-1,4-dione (2S)-2-(5-bromanyl-1H-indol-3-yl)-1,4-bis(4-methylphenyl)butane-1,4-dione
Wiley ID 1763417