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2,3-Bis(ethoxycarbonyl)tetrathiafulvalene
SpectraBase Compound ID LD2IgAjcRgW
InChI InChI=1S/C12H12O4S4/c1-3-15-9(13)7-8(10(14)16-4-2)20-12(19-7)11-17-5-6-18-11/h5-6H,3-4H2,1-2H3
InChIKey NMWXZOKCDSANRB-UHFFFAOYSA-N
Mol Weight 348.5 g/mol
Molecular Formula C12H12O4S4
Exact Mass 347.961844 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JpVEGtQ57dh
Name 2,3-Bis(ethoxycarbonyl)tetrathiafulvalene
Alternate Name(s) 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4,5-dicarboxylic acid diethyl ester Diethyl 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4,5-dicarboxylate
CAS Registry Number 68128-96-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O4S4
InChI InChI=1S/C12H12O4S4/c1-3-15-9(13)7-8(10(14)16-4-2)20-12(19-7)11-17-5-6-18-11/h5-6H,3-4H2,1-2H3
InChIKey NMWXZOKCDSANRB-UHFFFAOYSA-N
Molecular Weight 348.464 g/mol
SMILES C1(SC=CS1)=C1SC(C(OCC)=O)=C(S1)C(OCC)=O
SPLASH splash10-0002-5974000000-d8c7d92c9eb764685433
Source of Spectrum J-44-1479-0
Wiley ID 1340237