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2-(5'-[81Br]Bromo-2'-hydroxy-3'-methoxybenzoyl)-6-methylpyridine-3-carbonitrile
SpectraBase Compound ID 4i318SRc7Re
InChI InChI=1S/C15H11BrN2O3/c1-8-3-4-9(7-17)13(18-8)15(20)11-5-10(16)6-12(21-2)14(11)19/h3-6,19H,1-2H3/i16+1
InChIKey UUSUBLIPKOVASK-LOYIAQTISA-N
Mol Weight 348.18 g/mol
Molecular Formula C15H1181BrN2O3
Exact Mass 347.993255 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LiBUpLBsTmZ
Name 2-(5'-[81Br]Bromo-2'-hydroxy-3'-methoxybenzoyl)-6-methylpyridine-3-carbonitrile
Alternate Name(s) 2-(5-[81Br]bromo-2-hydroxy-3-methoxybenzoyl)-6-methylnicotinonitrile
Comments Original formula: C15H11[81Br]N2O3
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Formula C15H11BrN2O3
InChI InChI=1S/C15H11BrN2O3/c1-8-3-4-9(7-17)13(18-8)15(20)11-5-10(16)6-12(21-2)14(11)19/h3-6,19H,1-2H3/i16+1
InChIKey UUSUBLIPKOVASK-LOYIAQTISA-N
Molecular Weight 348.180 g/mol
SMILES Oc1c(C(c2nc(C)ccc2C#N)=O)cc(cc1OC)[81Br]
SPLASH splash10-0002-0329000000-b1a5d44422756159b648
Source of Spectrum B-35-1467-56
Wiley ID 1338951