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Ethyl 5-(phenylthio)-Tetrathiafulvalene-4-carboxylate
SpectraBase Compound ID AZXuWVD62Me
InChI InChI=1S/C15H12O2S5/c1-2-17-12(16)11-13(20-10-6-4-3-5-7-10)22-15(21-11)14-18-8-9-19-14/h3-9H,2H2,1H3
InChIKey SOLSHPJNJXGTRK-UHFFFAOYSA-N
Mol Weight 384.6 g/mol
Molecular Formula C15H12O2S5
Exact Mass 383.944085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AiDSL5itVII
Name Ethyl 5-(phenylthio)-Tetrathiafulvalene-4-carboxylate
Alternate Name(s) Ethyl 5-(phenylthio)-[2,2'-bi(1,3-dithiolylidene)]-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H12O2S5
InChI InChI=1S/C15H12O2S5/c1-2-17-12(16)11-13(20-10-6-4-3-5-7-10)22-15(21-11)14-18-8-9-19-14/h3-9H,2H2,1H3
InChIKey SOLSHPJNJXGTRK-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.5b02715
Molecular Weight 384.559 g/mol
SMILES C1(SC(=C(S1)Sc1ccccc1)C(=O)OCC)=C1SC=CS1
SPLASH splash10-06si-0913000000-c1cbdfe008f1de8a0d5d
Source of Spectrum A1-17-5356/SM25-7f
Wiley ID 1802599