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1,3-Benzoxazole, 7-(2H-1,2,3-benzotriazol-2-yl)-2-[[(4-chlorophenyl)methyl]thio]-5-methyl-
SpectraBase Compound ID LQd0pzNtlq3
InChI InChI=1S/C21H15ClN4OS/c1-13-10-18-20(19(11-13)26-24-16-4-2-3-5-17(16)25-26)27-21(23-18)28-12-14-6-8-15(22)9-7-14/h2-11H,12H2,1H3
InChIKey IQZWXNICCALEPO-UHFFFAOYSA-N
Mol Weight 406.89 g/mol
Molecular Formula C21H15ClN4OS
Exact Mass 406.06551 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FRgE8cK9jpD
Name 1,3-Benzoxazole, 7-(2H-1,2,3-benzotriazol-2-yl)-2-[[(4-chlorophenyl)methyl]thio]-5-methyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15ClN4OS
InChI InChI=1S/C21H15ClN4OS/c1-13-10-18-20(19(11-13)26-24-16-4-2-3-5-17(16)25-26)27-21(23-18)28-12-14-6-8-15(22)9-7-14/h2-11H,12H2,1H3
InChIKey IQZWXNICCALEPO-UHFFFAOYSA-N
Molecular Weight 406.891 g/mol
SMILES Cc1cc(-[n]2nc3ccccc3n2)c2c(nc(o2)SCc2ccc(Cl)cc2)c1
SPLASH splash10-004i-4930100000-ec5125e138cf7daff549
Source of Spectrum IY-1-4481-4
Synonyms 7-(2-benzotriazolyl)-2-[(4-chlorophenyl)methylthio]-5-methyl-1,3-benzoxazole 7-(benzotriazol-2-yl)-2-[(4-chlorophenyl)methylsulfanyl]-5-methyl-1,3-benzoxazole
Wiley ID 1652797