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1-(4-bromophenyl)-3-(1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)urea
SpectraBase Compound ID G60uO7vxTAa
InChI InChI=1S/C16H13BrClN5O/c1-10-15(20-16(24)19-13-6-2-11(17)3-7-13)21-22-23(10)14-8-4-12(18)5-9-14/h2-9H,1H3,(H2,19,20,24)
InChIKey IHOAAKWXSQKCLB-UHFFFAOYSA-N
Mol Weight 406.67 g/mol
Molecular Formula C16H13BrClN5O
Exact Mass 404.999201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0pbw7uiUXi
Name 1-(4-bromophenyl)-3-(1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)urea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13BrClN5O
InChI InChI=1S/C16H13BrClN5O/c1-10-15(20-16(24)19-13-6-2-11(17)3-7-13)21-22-23(10)14-8-4-12(18)5-9-14/h2-9H,1H3,(H2,19,20,24)
InChIKey IHOAAKWXSQKCLB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200300174
Molecular Weight 406.671 g/mol
SMILES N(c1ccc(Br)cc1)C(Nc1nn[n](-c2ccc(Cl)cc2)c1C)=O
SPLASH splash10-0h4k-1900000000-7bd40308b1c62bf4ed1a
Source of Spectrum QA-50-1218-6d
Wiley ID 1795852