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Ethyl 3-Ethyl-4,7-dioxo-4,7-dihydrobenzo[b]thiophene-2-carboxylate
SpectraBase Compound ID AUG4uETQVaV
InChI InChI=1S/C13H12O4S/c1-3-7-10-8(14)5-6-9(15)12(10)18-11(7)13(16)17-4-2/h5-6H,3-4H2,1-2H3
InChIKey WNQVGYYCMAWOLT-UHFFFAOYSA-N
Mol Weight 264.29 g/mol
Molecular Formula C13H12O4S
Exact Mass 264.04563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7pp6JiQ24PM
Name Ethyl 3-Ethyl-4,7-dioxo-4,7-dihydrobenzo[b]thiophene-2-carboxylate
Alternate Name(s) Ethyl 3-ethyl-4,7-dioxo-4,7-dihydro-1-benzothiophene-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O4S
InChI InChI=1S/C13H12O4S/c1-3-7-10-8(14)5-6-9(15)12(10)18-11(7)13(16)17-4-2/h5-6H,3-4H2,1-2H3
InChIKey WNQVGYYCMAWOLT-UHFFFAOYSA-N
Molecular Weight 264.295 g/mol
SMILES c12c(c(c(s2)C(=O)OCC)CC)C(C=CC1=O)=O
SPLASH splash10-014i-0090000000-3684c2be596ed8e27db4
Source of Spectrum H1-55-2427-4
Wiley ID 1564735