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3-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione

View entire compound with spectra: 1 MS (GC)

3-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione
SpectraBase Compound ID 8L6gctrf83e
InChI InChI=1S/C19H16ClN3O2S/c1-12(24)17(13(2)25)26-19-22-21-18(14-8-10-15(20)11-9-14)23(19)16-6-4-3-5-7-16/h3-11,17H,1-2H3
InChIKey UWTZXKBZIGUIRB-UHFFFAOYSA-N
Mol Weight 385.87 g/mol
Molecular Formula C19H16ClN3O2S
Exact Mass 385.065176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HWqXgFNRPK7
Name 3-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione
Alternate Name(s) 3-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]pentane-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16ClN3O2S
InChI InChI=1S/C19H16ClN3O2S/c1-12(24)17(13(2)25)26-19-22-21-18(14-8-10-15(20)11-9-14)23(19)16-6-4-3-5-7-16/h3-11,17H,1-2H3
InChIKey UWTZXKBZIGUIRB-UHFFFAOYSA-N
Molecular Weight 385.869 g/mol
SMILES c1([n](c(-c2ccc(cc2)Cl)nn1)-c1ccccc1)SC(C(=O)C)C(=O)C
SPLASH splash10-000f-3339000000-00a4612e8d7894f94300
Wiley ID 1452540