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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 7bqas2TK1Hv
Name 2,6(7)-Dimethyl-3-ethoxycarbonyltetrathiafulvalene
CAS Registry Number 68129-00-0
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 CCOC(=O)C1=C(C)S\C(S1)=C/1SC=C(C)S1
SPLASH splash10-0hk9-9653000000-4be93a531926df092d7e
Source of Spectrum W5-1989-9440-1
Wiley ID 1305944