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6-(Isopropoyl)-N-(4-bromophenyl)thieno[2,3-b]pyridinium Bromide
SpectraBase Compound ID 4ANwlg5v6LD
InChI InChI=1S/C17H15BrNOS.BrH/c1-11(2)16(20)15-8-3-12-9-10-21-17(12)19(15)14-6-4-13(18)5-7-14;/h3-11H,1-2H3;1H/q+1;/p-1
InChIKey WLLXDNHHNIULIJ-UHFFFAOYSA-M
Mol Weight 441.18 g/mol
Molecular Formula C17H15Br2NOS
Exact Mass 438.924111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JmS3WaLlll1
Name 6-(Isopropoyl)-N-(4-bromophenyl)thieno[2,3-b]pyridinium Bromide
Alternate Name(s) 7-(4-bromophenyl)-6-isobutyrylthieno[2,3-b]pyridin-7-ium bromide
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Formula C17H15Br2NOS
InChI InChI=1S/C17H15BrNOS.BrH/c1-11(2)16(20)15-8-3-12-9-10-21-17(12)19(15)14-6-4-13(18)5-7-14;/h3-11H,1-2H3;1H/q+1;/p-1
InChIKey WLLXDNHHNIULIJ-UHFFFAOYSA-M
Molecular Weight 441.181 g/mol
SMILES [Br-].c1([n+](c2c(cc1)ccs2)-c1ccc(Br)cc1)C(=O)C(C)C
SPLASH splash10-03di-0209000000-d627d18051903922f15c
Source of Spectrum SO-0-343-3
Wiley ID 1538837