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6-(Isopropoyl)-N-(4-chlorophenyl)thieno[2,3-b]pyridinium Bromide
SpectraBase Compound ID 3SpdOVXIdmV
InChI InChI=1S/C17H15ClNOS.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 ADDYWJZLKMMCOC-UHFFFAOYSA-M
Mol Weight 396.73 g/mol
Molecular Formula C17H15BrClNOS
Exact Mass 394.974626 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8U5iTgI4RmS
Name 6-(Isopropoyl)-N-(4-chlorophenyl)thieno[2,3-b]pyridinium Bromide
Alternate Name(s) 7-(4-Chlorophenyl)-6-isobutyrylthieno[2,3-b]pyridin-7-ium bromide
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Formula C17H15BrClNOS
InChI InChI=1S/C17H15ClNOS.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 ADDYWJZLKMMCOC-UHFFFAOYSA-M
Molecular Weight 396.730 g/mol
SMILES [Br-].c1([n+](c2c(cc1)ccs2)-c1ccc(Cl)cc1)C(=O)C(C)C
SPLASH splash10-014i-0129000000-1353225866e49e278d39
Source of Spectrum SO-0-343-3
Wiley ID 1538836