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1-(1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-3-(2,5-dichlorophenyl)urea
SpectraBase Compound ID 1E3xdYmciti
InChI InChI=1S/C16H12Cl3N5O/c1-9-15(22-23-24(9)12-5-2-10(17)3-6-12)21-16(25)20-14-8-11(18)4-7-13(14)19/h2-8H,1H3,(H2,20,21,25)
InChIKey RQTVDIDINZFIOJ-UHFFFAOYSA-N
Mol Weight 396.67 g/mol
Molecular Formula C16H12Cl3N5O
Exact Mass 395.010743 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 23gBmlpV7pe
Name 1-(1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-3-(2,5-dichlorophenyl)urea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12Cl3N5O
InChI InChI=1S/C16H12Cl3N5O/c1-9-15(22-23-24(9)12-5-2-10(17)3-6-12)21-16(25)20-14-8-11(18)4-7-13(14)19/h2-8H,1H3,(H2,20,21,25)
InChIKey RQTVDIDINZFIOJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200300174
Molecular Weight 396.665 g/mol
SMILES N(C(=O)Nc1c(C)[n](-c2ccc(Cl)cc2)nn1)c1c(Cl)ccc(Cl)c1
SPLASH splash10-0imi-1900000000-71c0fe8694679ecb7cb9
Source of Spectrum QA-50-1218-6e
Wiley ID 1795853