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2-[4-(2-Cyanoethylthio)-5-ethylthio-1,3-dithiole-2-ylidene]-5-tosyl-1,3-dithio[4,5-c]pyrrole
SpectraBase Compound ID 9bLuBksxNF4
InChI InChI=1S/C20H18N2O2S7/c1-3-25-17-18(26-10-4-9-21)30-20(29-17)19-27-15-11-22(12-16(15)28-19)31(23,24)14-7-5-13(2)6-8-14/h5-8,11-12H,3-4,10H2,1-2H3
InChIKey UQCZTNLOWIRLTE-UHFFFAOYSA-N
Mol Weight 542.8 g/mol
Molecular Formula C20H18N2O2S7
Exact Mass 541.941326 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DUxFQDmSKZ
Name 2-[4-(2-Cyanoethylthio)-5-ethylthio-1,3-dithiole-2-ylidene]-5-tosyl-1,3-dithio[4,5-c]pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N2O2S7
InChI InChI=1S/C20H18N2O2S7/c1-3-25-17-18(26-10-4-9-21)30-20(29-17)19-27-15-11-22(12-16(15)28-19)31(23,24)14-7-5-13(2)6-8-14/h5-8,11-12H,3-4,10H2,1-2H3
InChIKey UQCZTNLOWIRLTE-UHFFFAOYSA-N
Molecular Weight 542.796 g/mol
SMILES c1[n](S(c2ccc(cc2)C)(=O)=O)cc2SC(Sc12)=C1SC(SCCC#N)=C(S1)SCC
SPLASH splash10-0a5c-3901010000-46e937adaf022263fa62
Source of Spectrum QE-20-275-22
Wiley ID 1586635