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5-[(4-bromophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide

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5-[(4-bromophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID 5yr0bJh3KhO
InChI InChI=1S/C15H12BrN3OS/c16-11-6-8-13(9-7-11)20-10-14-17-18-15(21)19(14)12-4-2-1-3-5-12/h1-9H,10H2,(H,18,21)
InChIKey FSTYDAWBWDPPTN-UHFFFAOYSA-N
Mol Weight 362.25 g/mol
Molecular Formula C15H12BrN3OS
Exact Mass 360.988446 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8XgkqRXiP6n
Name 5-[(4-Bromophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide
Comments Computed using HOSE algorithm
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Exact Mass 360.988446191 u
Formula C15H12BrN3OS
InChI InChI=1S/C15H12BrN3OS/c16-11-6-8-13(9-7-11)20-10-14-17-18-15(21)19(14)12-4-2-1-3-5-12/h1-9H,10H2,(H,18,21)
InChIKey FSTYDAWBWDPPTN-UHFFFAOYSA-N
Molecular Weight 362.245 g/mol
SMILES SC=1N(C(=NN1)COC1=CC=C(C=C1)Br)C1=CC=CC=C1