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benzoic acid, 4-bromo-, 4-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenyl ester
SpectraBase Compound ID JLcW5JijP9d
InChI InChI=1S/C16H11BrN4O2/c17-14-5-3-13(4-6-14)16(22)23-15-7-1-12(2-8-15)9-20-21-10-18-19-11-21/h1-11H/b20-9+
InChIKey NIBNXEQFELWRGG-AWQFTUOYSA-N
Mol Weight 371.19 g/mol
Molecular Formula C16H11BrN4O2
Exact Mass 370.006539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID S4oQh444dM
Name 4-Bromo-benzoic acid 4-([1,2,4]triazol-4-yliminomethyl)-phenyl ester
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Formula C16H11BrN4O2
InChI InChI=1S/C16H11BrN4O2/c17-14-5-3-13(4-6-14)16(22)23-15-7-1-12(2-8-15)9-20-21-10-18-19-11-21/h1-11H/b20-9+
InChIKey NIBNXEQFELWRGG-AWQFTUOYSA-N
Molecular Weight 371.194 g/mol
SMILES c1cc(OC(c2ccc(cc2)Br)=O)ccc1\C=N\[n]1cnnc1
SPLASH splash10-0569-5900000000-71675bc78a881726c329
Synonyms 4-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenyl 4-bromobenzoate [4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] 4-bromobenzoate [4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] 4-bromanylbenzoate
Wiley ID 1466171