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Ethyl 5-(methylthio)-Tetrathiafulvalene-4-carboxylate
SpectraBase Compound ID Jt7awPxRYwB
InChI InChI=1S/C10H10O2S5/c1-3-12-7(11)6-8(13-2)17-10(16-6)9-14-4-5-15-9/h4-5H,3H2,1-2H3
InChIKey URJBJBAZNTXEPF-UHFFFAOYSA-N
Mol Weight 322.5 g/mol
Molecular Formula C10H10O2S5
Exact Mass 321.928435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4gcE0TGQ8GV
Name Ethyl 5-(methylthio)-Tetrathiafulvalene-4-carboxylate
Alternate Name(s) Ethyl 5-(methylthio)-[2,2'-bi(1,3-dithiolylidene)]-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10O2S5
InChI InChI=1S/C10H10O2S5/c1-3-12-7(11)6-8(13-2)17-10(16-6)9-14-4-5-15-9/h4-5H,3H2,1-2H3
InChIKey URJBJBAZNTXEPF-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.5b02715
Molecular Weight 322.488 g/mol
SMILES C1(SC(=C(S1)SC)C(=O)OCC)=C1SC=CS1
SPLASH splash10-00dj-0549000000-81b846feb6d1815c8183
Source of Spectrum A1-17-5356/SM26-7g
Wiley ID 1802600