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3-(5-{[(4-bromophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)pyridine
SpectraBase Compound ID 8XSYMCD6MNa
InChI InChI=1S/C13H10BrN5S/c14-11-5-3-10(4-6-11)9-20-13-16-17-18-19(13)12-2-1-7-15-8-12/h1-8H,9H2
InChIKey JTIKBKGRBWATEG-UHFFFAOYSA-N
Mol Weight 348.22 g/mol
Molecular Formula C13H10BrN5S
Exact Mass 346.98403 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2eWJk0hYS8
Name 3-(5-{[(4-bromophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)pyridine
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Formula C13H10BrN5S
InChI InChI=1S/C13H10BrN5S/c14-11-5-3-10(4-6-11)9-20-13-16-17-18-19(13)12-2-1-7-15-8-12/h1-8H,9H2
InChIKey JTIKBKGRBWATEG-UHFFFAOYSA-N
Molecular Weight 348.222 g/mol
SMILES c1(cnccc1)-[n]1c(SCc2ccc(cc2)Br)nnn1
SPLASH splash10-00xr-7931000000-76133890f328ba07d126
Source of Spectrum IY-2-5201-7
Synonyms Pyridine, 3-[5-[[(4-bromophenyl)methyl]thio]-1H-1,2,3,4-tetrazol-1-yl]- 3-[5-[(4-bromophenyl)methylthio]-1-tetrazolyl]pyridine 3-[5-[(4-bromophenyl)methylsulfanyl]tetrazol-1-yl]pyridine 3-[5-[(4-bromophenyl)methylsulfanyl]-1,2,3,4-tetrazol-1-yl]pyridine
Wiley ID 1660000