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1-(3-bromophenyl)-3-(1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)urea

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1-(3-bromophenyl)-3-(1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)urea
SpectraBase Compound ID AhBAN0uhAvi
InChI InChI=1S/C16H13BrClN5O/c1-10-15(20-16(24)19-13-4-2-3-11(17)9-13)21-22-23(10)14-7-5-12(18)6-8-14/h2-9H,1H3,(H2,19,20,24)
InChIKey JMBSZOQNVKEHHS-UHFFFAOYSA-N
Mol Weight 406.67 g/mol
Molecular Formula C16H13BrClN5O
Exact Mass 404.999201 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LAx4oiAVKkY
Name 1-(3-Bromophenyl)-3-(1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)urea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.999200758 u
Formula C16H13BrClN5O
InChI InChI=1S/C16H13BrClN5O/c1-10-15(20-16(24)19-13-4-2-3-11(17)9-13)21-22-23(10)14-7-5-12(18)6-8-14/h2-9H,1H3,(H2,19,20,24)
InChIKey JMBSZOQNVKEHHS-UHFFFAOYSA-N
Molecular Weight 406.671 g/mol
SMILES C=1(NC(NC=2N=NN(C=3C=CC(Cl)=CC3)C2C)=O)C=CC=C(C1)Br