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2,6(7)-Dimethyl-3-ethoxycarbonyltetrathiafulvalene
SpectraBase Compound ID 1r9SRiWnH2o
InChI InChI=1S/C11H12O2S4/c1-4-13-9(12)8-7(3)16-11(17-8)10-14-5-6(2)15-10/h5H,4H2,1-3H3/b11-10-
InChIKey BQYVJTDKZHMYMA-KHPPLWFESA-N
Mol Weight 304.5 g/mol
Molecular Formula C11H12O2S4
Exact Mass 303.972014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BL6EC7qkcr7
Name 2,6(7)-Dimethyl-3-ethoxycarbonyltetrathiafulvalene
CAS Registry Number 68129-01-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O2S4
InChI InChI=1S/C11H12O2S4/c1-4-13-9(12)8-7(3)16-11(17-8)10-14-5-6(2)15-10/h5H,4H2,1-3H3/b11-10-
InChIKey BQYVJTDKZHMYMA-KHPPLWFESA-N
Molecular Weight 304.455 g/mol
SMILES C=1(S\C(=C/2SC(C)=CS2)SC1C)C(=O)OCC
SPLASH splash10-0hk9-7986000000-2b52142d2cf517f1d97e
Source of Spectrum J-44-1479-0
Wiley ID 1305943