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6-{5-[2-(4-Chlorophenacyloxy)phenyl]-1,2,4-dithiazol-3-ylidene}-2,4-cyclohexadien-1-one
SpectraBase Compound ID 4RoabLCpeOv
InChI InChI=1S/C22H14ClNO3S2/c23-15-11-9-14(10-12-15)19(26)13-27-20-8-4-2-6-17(20)22-24-21(28-29-22)16-5-1-3-7-18(16)25/h1-12H,13H2/b21-16-
InChIKey WYGABRYUGHUKFS-PGMHBOJBSA-N
Mol Weight 439.93 g/mol
Molecular Formula C22H14ClNO3S2
Exact Mass 439.010363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CWKWmvevdO4
Name 6-{5-[2-(4-Chlorophenacyloxy)phenyl]-1,2,4-dithiazol-3-ylidene}-2,4-cyclohexadien-1-one
Alternate Name(s) (6Z)-6-(5-{2-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl}-3H-1,2,4-dithiazol-3-ylidene)-2,4-cyclohexadien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H14ClNO3S2
InChI InChI=1S/C22H14ClNO3S2/c23-15-11-9-14(10-12-15)19(26)13-27-20-8-4-2-6-17(20)22-24-21(28-29-22)16-5-1-3-7-18(16)25/h1-12H,13H2/b21-16-
InChIKey WYGABRYUGHUKFS-PGMHBOJBSA-N
Molecular Weight 439.931 g/mol
SMILES C1(C=CC=C\C1=C/1SSC(=N1)c1c(cccc1)OCC(=O)c1ccc(cc1)Cl)=O
SPLASH splash10-000i-0970000000-071e179dca5e4fd1fd17
Source of Spectrum O1-65-1301-3
Wiley ID 1593142