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1-[4-(2-oxo-1-phenylbutylidene)-1,3-dithietan-2-ylidene]-1-phenyl-2-butanone
SpectraBase Compound ID 5hFFsOBsbGg
InChI InChI=1S/C22H20O2S2/c1-3-17(23)19(15-11-7-5-8-12-15)21-25-22(26-21)20(18(24)4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3/b21-19-,22-20-
InChIKey KVAAHMNWTLZRLK-WRBBJXAJSA-N
Mol Weight 380.52 g/mol
Molecular Formula C22H20O2S2
Exact Mass 380.090472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KB0w8QmnZso
Name 1-[4-(2-oxo-1-phenylbutylidene)-1,3-dithietan-2-ylidene]-1-phenyl-2-butanone
CAS Registry Number 113354-35-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20O2S2
InChI InChI=1S/C22H20O2S2/c1-3-17(23)19(15-11-7-5-8-12-15)21-25-22(26-21)20(18(24)4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3/b21-19-,22-20-
InChIKey KVAAHMNWTLZRLK-WRBBJXAJSA-N
Molecular Weight 380.520 g/mol
SMILES C(\C(=C\1S\C(S1)=C\(C(=O)CC)c1ccccc1)c1ccccc1)(=O)CC
SPLASH splash10-0kcr-7009000000-d8aa76e62b7c04ee62cd
Source of Spectrum K-121-1170-28
Wiley ID 1359764