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Pyridine, 2-(4-bromomethylphenylthio)-5-nitro-
SpectraBase Compound ID 8Zevu53ysaY
InChI InChI=1S/C12H9BrN2O2S/c13-7-9-1-4-11(5-2-9)18-12-6-3-10(8-14-12)15(16)17/h1-6,8H,7H2
InChIKey TWWKGIFPSUNYJM-UHFFFAOYSA-N
Mol Weight 325.18 g/mol
Molecular Formula C12H9BrN2O2S
Exact Mass 323.956812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IxGO6P5CiI9
Name Pyridine, 2-(4-bromomethylphenylthio)-5-nitro-
Alternate Name(s) 2-[4-(bromomethyl)phenyl]sulfanyl-5-nitro-pyridine 2-[[4-(bromomethyl)phenyl]thio]-5-nitro-pyridine 2-[[4-(bromomethyl)phenyl]thio]-5-nitropyridine
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Formula C12H9BrN2O2S
InChI InChI=1S/C12H9BrN2O2S/c13-7-9-1-4-11(5-2-9)18-12-6-3-10(8-14-12)15(16)17/h1-6,8H,7H2
InChIKey TWWKGIFPSUNYJM-UHFFFAOYSA-N
Molecular Weight 325.180 g/mol
SMILES C(Br)c1ccc(Sc2ncc(N(=O)=O)cc2)cc1
SPLASH splash10-0002-4591000000-f1255df685890195fa71
Source of Spectrum AD-0-2532-0
Wiley ID 1427444