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2-Butanone, 1-[[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-

View entire compound with spectra: 1 MS (GC)

2-Butanone, 1-[[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-
SpectraBase Compound ID G2Vrnppadrt
InChI InChI=1S/C20H20BrN3OS/c1-20(2,3)17(25)13-26-19-23-22-18(14-8-7-9-15(21)12-14)24(19)16-10-5-4-6-11-16/h4-12H,13H2,1-3H3
InChIKey XZLQEVNNNXOKSG-UHFFFAOYSA-N
Mol Weight 430.36 g/mol
Molecular Formula C20H20BrN3OS
Exact Mass 429.051046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46mCYBligi
Name 2-Butanone, 1-[[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20BrN3OS
InChI InChI=1S/C20H20BrN3OS/c1-20(2,3)17(25)13-26-19-23-22-18(14-8-7-9-15(21)12-14)24(19)16-10-5-4-6-11-16/h4-12H,13H2,1-3H3
InChIKey XZLQEVNNNXOKSG-UHFFFAOYSA-N
Molecular Weight 430.364 g/mol
SMILES c1(cc(-c2[n](c(SCC(C(C)(C)C)=O)nn2)-c2ccccc2)ccc1)Br
SPLASH splash10-0595-8219100000-65214ee08749ff1eec9a
Source of Spectrum IY-1-4472-4
Synonyms 1-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone 1-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one 1-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one
Wiley ID 1652707