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[3]Dendralene [1-(1,3-dithiolo[4,5-b][1,4]dithiain-2-ylidene)-2-(1,3-diselenolidene)-3-(4,5-biscarbomethoxydithiol-2-ylidene)propane]
SpectraBase Compound ID 3Pd53Dml5UM
InChI InChI=1S/C18H14O4S6Se2/c1-21-14(19)12-13(15(20)22-2)26-10(25-12)7-9(18-29-5-6-30-18)8-11-27-16-17(28-11)24-4-3-23-16/h5-8H,3-4H2,1-2H3
InChIKey XSKCHLBDOZLKLO-UHFFFAOYSA-N
Mol Weight 644.6 g/mol
Molecular Formula C18H14O4S6Se2
Exact Mass 645.75468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KGJqcfYgAlA
Name [3]Dendralene [1-(1,3-dithiolo[4,5-b][1,4]dithiain-2-ylidene)-2-(1,3-diselenolidene)-3-(4,5-biscarbomethoxydithiol-2-ylidene)propane]
Alternate Name(s) Dimethyl 2-[3-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-2-(1,3-diselenol-2-ylidene)propylidene]-1,3-dithiole-4,5-dicarboxylate
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Formula C18H14O4S6Se2
InChI InChI=1S/C18H14O4S6Se2/c1-21-14(19)12-13(15(20)22-2)26-10(25-12)7-9(18-29-5-6-30-18)8-11-27-16-17(28-11)24-4-3-23-16/h5-8H,3-4H2,1-2H3
InChIKey XSKCHLBDOZLKLO-UHFFFAOYSA-N
Molecular Weight 644.610 g/mol
SMILES C1(=C(SC(S1)=CC(=C1[Se]C=C[Se]1)C=C1SC=2SCCSC2S1)C(=O)OC)C(=O)OC
SPLASH splash10-01ta-0955104000-d60534071ccc47388f8b
Source of Spectrum J-66-7763-19
Wiley ID 1568428