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dimethyl 2-[4-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]cyclohex-2-en-1-ylidene]-1,3-dithiole-4,5-dicarboxylate
SpectraBase Compound ID FhPmlWKoyUL
InChI InChI=1S/C20H18O8S4/c1-25-15(21)11-12(16(22)26-2)30-19(29-11)9-5-7-10(8-6-9)20-31-13(17(23)27-3)14(32-20)18(24)28-4/h5,7H,6,8H2,1-4H3
InChIKey IUCQYRQFWPUDHQ-UHFFFAOYSA-N
Mol Weight 514.6 g/mol
Molecular Formula C20H18O8S4
Exact Mass 513.988452 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IJN6SUzzFDj
Name dimethyl 2-[4-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]cyclohex-2-en-1-ylidene]-1,3-dithiole-4,5-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O8S4
InChI InChI=1S/C20H18O8S4/c1-25-15(21)11-12(16(22)26-2)30-19(29-11)9-5-7-10(8-6-9)20-31-13(17(23)27-3)14(32-20)18(24)28-4/h5,7H,6,8H2,1-4H3
InChIKey IUCQYRQFWPUDHQ-UHFFFAOYSA-N
Instrument Name VG Analytical-Autospec EBE
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1290090928
Molecular Weight 514.596 g/mol
SMILES C1(=C(SC(S1)=C1CCC(C=C1)=C1SC(=C(S1)C(OC)=O)C(=O)OC)C(OC)=O)C(=O)OC
SPLASH splash10-03di-1421090000-3d9e37a6196258374d18
Source of Spectrum RCM-9-857-6a
Wiley ID 1835935