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6-(p-Butylphenyl)-2-thioxo-6H-[1,3]dithiolo[4',5':5,6]dithino[2,3-c][1,4]pyrrole-5,7-dione
SpectraBase Compound ID 3VIopzvX4tZ
InChI InChI=1S/C17H13NO2S5/c1-2-3-4-9-5-7-10(8-6-9)18-13(19)11-12(14(18)20)23-16-15(22-11)24-17(21)25-16/h5-8H,2-4H2,1H3
InChIKey PIISRJPJBGRQBU-UHFFFAOYSA-N
Mol Weight 423.6 g/mol
Molecular Formula C17H13NO2S5
Exact Mass 422.954985 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHTQas3jJNl
Name 6-(p-Butylphenyl)-2-thioxo-6H-[1,3]dithiolo[4',5':5,6]dithino[2,3-c][1,4]pyrrole-5,7-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13NO2S5
InChI InChI=1S/C17H13NO2S5/c1-2-3-4-9-5-7-10(8-6-9)18-13(19)11-12(14(18)20)23-16-15(22-11)24-17(21)25-16/h5-8H,2-4H2,1H3
InChIKey PIISRJPJBGRQBU-UHFFFAOYSA-N
Molecular Weight 423.596 g/mol
SMILES C12=C(C(=O)N(C2=O)c2ccc(cc2)CCCC)SC=2SC(SC2S1)=S
SPLASH splash10-0089-0900600000-221a51035446b5808e85
Source of Spectrum KC-1992-1809-6
Wiley ID 776608