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2-Ethylthio-1,4-bis[benzo[d][1,3]dithiaol-2-ylidene]benzene
SpectraBase Compound ID JAotf8UJ6o7
InChI InChI=1S/C22H16S5/c1-2-23-20-13-14(21-24-16-7-3-4-8-17(16)25-21)11-12-15(20)22-26-18-9-5-6-10-19(18)27-22/h3-13H,2H2,1H3
InChIKey PFKLFWZDLMODLH-UHFFFAOYSA-N
Mol Weight 440.7 g/mol
Molecular Formula C22H16S5
Exact Mass 439.985556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BCWpVUwU9Yp
Name 2-Ethylthio-1,4-bis[benzo[d][1,3]dithiaol-2-ylidene]benzene
Alternate Name(s) 2-[4-(1,3-benzodithiol-2-ylidene)-3-(ethylsulfanyl)-2,5-cyclohexadien-1-ylidene]-1,3-benzodithiole 3,6-di(1,3-benzodithiol-2-ylidene)-1,4-cyclohexadien-1-yl ethyl sulfide
Comments Less than 3 mono-isotopic peaks
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Formula C22H16S5
InChI InChI=1S/C22H16S5/c1-2-23-20-13-14(21-24-16-7-3-4-8-17(16)25-21)11-12-15(20)22-26-18-9-5-6-10-19(18)27-22/h3-13H,2H2,1H3
InChIKey PFKLFWZDLMODLH-UHFFFAOYSA-N
Molecular Weight 440.670 g/mol
SMILES C1(=C2C(=CC(=C3Sc4ccccc4S3)C=C2)SCC)Sc2ccccc2S1
SPLASH splash10-0udl-0900800000-c7c66cf229bd05257554
Source of Spectrum H1-38-2158-8
Wiley ID 756635