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(4-bromophenyl)-[4-(4-bromophenyl)carbonyl-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazol-2-yl]methanone
SpectraBase Compound ID HTGcsvHd32n
InChI InChI=1S/C25H17Br2NO2S/c26-18-9-5-15(6-10-18)23(29)17-13-20(24(30)16-7-11-19(27)12-8-16)25-28(14-17)21-3-1-2-4-22(21)31-25/h1-12,17H,13-14H2
InChIKey UFVMWMZJHWYFKX-UHFFFAOYSA-N
Mol Weight 555.28 g/mol
Molecular Formula C25H17Br2NO2S
Exact Mass 552.934676 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DA08akGNEsa
Name (4-bromophenyl)-[4-(4-bromophenyl)carbonyl-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazol-2-yl]methanone
Alternate Name(s) (4-bromophenyl)-[4-[(4-bromophenyl)-oxomethyl]-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazol-2-yl]methanone [4-(4-bromobenzoyl)-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazol-2-yl]-(4-bromophenyl)methanone
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Formula C25H17Br2NO2S
InChI InChI=1S/C25H17Br2NO2S/c26-18-9-5-15(6-10-18)23(29)17-13-20(24(30)16-7-11-19(27)12-8-16)25-28(14-17)21-3-1-2-4-22(21)31-25/h1-12,17H,13-14H2
InChIKey UFVMWMZJHWYFKX-UHFFFAOYSA-N
Molecular Weight 555.284 g/mol
SMILES C=12Sc3c(N2CC(CC1C(c1ccc(cc1)Br)=O)C(c1ccc(cc1)Br)=O)cccc3
SPLASH splash10-00di-0609020000-24d759a9a6a5f880a7fa
Source of Spectrum K-2002-558-3
Wiley ID 1580845