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dimethyl 2-[8-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]octa-2,4,6-trienylidene]-1,3-dithiole-4,5-dicarboxylate
SpectraBase Compound ID GIgZwedkTjp
InChI InChI=1S/C22H20O8S4/c1-27-19(23)15-16(20(24)28-2)32-13(31-15)11-9-7-5-6-8-10-12-14-33-17(21(25)29-3)18(34-14)22(26)30-4/h5-12H,1-4H3
InChIKey JJKPQLVELMZMBI-UHFFFAOYSA-N
Mol Weight 540.6 g/mol
Molecular Formula C22H20O8S4
Exact Mass 540.004102 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EuPCDTVhfac
Name dimethyl 2-[8-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]octa-2,4,6-trienylidene]-1,3-dithiole-4,5-dicarboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20O8S4
InChI InChI=1S/C22H20O8S4/c1-27-19(23)15-16(20(24)28-2)32-13(31-15)11-9-7-5-6-8-10-12-14-33-17(21(25)29-3)18(34-14)22(26)30-4/h5-12H,1-4H3
InChIKey JJKPQLVELMZMBI-UHFFFAOYSA-N
Instrument Name VG Analytical-Autospec EBE
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1290090928
Molecular Weight 540.634 g/mol
SMILES COC(=O)C1=C(C(OC)=O)SC(S1)=CC=CC=CC=CC=C1SC(=C(S1)C(OC)=O)C(=O)OC
SPLASH splash10-01ox-2364690000-8c1766fe926d8007b0e7
Source of Spectrum RCM-9-857-5a
Wiley ID 1835934