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(Z)-1,8-Diphenyl-4-methylsulfanyl-octa-1,4,7-trien-3,6-dione
SpectraBase Compound ID GBz6O59ZxMy
InChI InChI=1S/C21H18O2S/c1-24-21(20(23)15-13-18-10-6-3-7-11-18)16-19(22)14-12-17-8-4-2-5-9-17/h2-16H,1H3/b14-12+,15-13+,21-16-
InChIKey LVTDFQUOGMNLIU-RAGVNVKESA-N
Mol Weight 334.43 g/mol
Molecular Formula C21H18O2S
Exact Mass 334.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3iGXH63pe2G
Name (Z)-1,8-Diphenyl-4-methylsulfanyl-octa-1,4,7-trien-3,6-dione
Alternate Name(s) (E)-1,8-Diphenyl-4-methylsulfanyl-octa-1,4,7-trien-3,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18O2S
InChI InChI=1S/C21H18O2S/c1-24-21(20(23)15-13-18-10-6-3-7-11-18)16-19(22)14-12-17-8-4-2-5-9-17/h2-16H,1H3/b14-12+,15-13+,21-16-
InChIKey LVTDFQUOGMNLIU-RAGVNVKESA-N
Molecular Weight 334.433 g/mol
SMILES C(\C(=C\C(\C=C\c1ccccc1)=O)SC)(\C=C\c1ccccc1)=O
SPLASH splash10-0ue9-2912000000-98892466d80c64262c47
Source of Spectrum F-65-6049-4a
Wiley ID 1680144