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dimethyl 2-[(E)-4-(1,3-benzodithiol-2-ylidene)but-2-enylidene]-1,3-dithiole-4,5-dicarboxylate
SpectraBase Compound ID 34xb6peI7z1
InChI InChI=1S/C18H14O4S4/c1-21-17(19)15-16(18(20)22-2)26-14(25-15)10-6-5-9-13-23-11-7-3-4-8-12(11)24-13/h3-10H,1-2H3/b6-5+
InChIKey TWRUJCZOWAFGAV-AATRIKPKSA-N
Mol Weight 422.5 g/mol
Molecular Formula C18H14O4S4
Exact Mass 421.977494 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33QY1raOKu
Name dimethyl 2-[(E)-4-(1,3-benzodithiol-2-ylidene)but-2-enylidene]-1,3-dithiole-4,5-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14O4S4
InChI InChI=1S/C18H14O4S4/c1-21-17(19)15-16(18(20)22-2)26-14(25-15)10-6-5-9-13-23-11-7-3-4-8-12(11)24-13/h3-10H,1-2H3/b6-5+
InChIKey TWRUJCZOWAFGAV-AATRIKPKSA-N
Instrument Name VG Analytical-Autospec EBE
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1290090928
Molecular Weight 422.546 g/mol
SMILES COC(=O)C1=C(C(OC)=O)SC(S1)=C\C=C\C=C1Sc2ccccc2S1
SPLASH splash10-00xr-0490400000-2736c6c170a3f2aac8e8
Source of Spectrum RCM-9-857-3b
Wiley ID 1835931