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1-(1,3-benzodioxol-5-yl)-5-[(3-bromobenzyl)thio]tetrazole
SpectraBase Compound ID 4ztuQljhYCT
InChI InChI=1S/C15H11BrN4O2S/c16-11-3-1-2-10(6-11)8-23-15-17-18-19-20(15)12-4-5-13-14(7-12)22-9-21-13/h1-7H,8-9H2
InChIKey KXGCNMVHIJMRAA-UHFFFAOYSA-N
Mol Weight 391.24 g/mol
Molecular Formula C15H11BrN4O2S
Exact Mass 389.97861 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6RhDk0Whs2R
Name 1-(1,3-benzodioxol-5-yl)-5-[(3-bromobenzyl)thio]tetrazole
Alternate Name(s) 1-(1,3-benzodioxol-5-yl)-5-[(3-bromophenyl)methylsulfanyl]-1,2,3,4-tetrazole 1-(1,3-benzodioxol-5-yl)-5-[(3-bromophenyl)methylsulfanyl]tetrazole 1-(1,3-benzodioxol-5-yl)-5-[(3-bromophenyl)methylthio]tetrazole 1-Benzo[1,3]dioxol-5-yl-5-(3-bromo-benzylsulfanyl)-1H-tetrazole
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Formula C15H11BrN4O2S
InChI InChI=1S/C15H11BrN4O2S/c16-11-3-1-2-10(6-11)8-23-15-17-18-19-20(15)12-4-5-13-14(7-12)22-9-21-13/h1-7H,8-9H2
InChIKey KXGCNMVHIJMRAA-UHFFFAOYSA-N
Molecular Weight 391.243 g/mol
SMILES c1ccc(cc1CSc1[n](nnn1)-c1cc2OCOc2cc1)Br
SPLASH splash10-03k9-4910000000-03bc8d3e4c9b4bbbb65b
Wiley ID 1451302