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3-Methyl-4,7-dioxo-1-benzothiophene-2-carboxylic acid ethyl ester
SpectraBase Compound ID BLOS1Fo3s7l
InChI InChI=1S/C12H10O4S/c1-3-16-12(15)10-6(2)9-7(13)4-5-8(14)11(9)17-10/h4-5H,3H2,1-2H3
InChIKey GCFASPBFGHJPRD-UHFFFAOYSA-N
Mol Weight 250.27 g/mol
Molecular Formula C12H10O4S
Exact Mass 250.02998 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9HmTi0L3xfq
Name 3-Methyl-4,7-dioxo-1-benzothiophene-2-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10O4S
InChI InChI=1S/C12H10O4S/c1-3-16-12(15)10-6(2)9-7(13)4-5-8(14)11(9)17-10/h4-5H,3H2,1-2H3
InChIKey GCFASPBFGHJPRD-UHFFFAOYSA-N
Molecular Weight 250.268 g/mol
SMILES c12c(c(c(s2)C(=O)OCC)C)C(C=CC1=O)=O
SPLASH splash10-0uk9-0090000000-7ff25ac2ccf4b26f281a
Source of Spectrum H1-55-2427-4
Synonyms 4,7-Diketo-3-methyl-benzothiophene-2-carboxylic acid ethyl ester Ethyl 3-methyl-4,7-bis(oxidanylidene)-1-benzothiophene-2-carboxylate Ethyl 3-methyl-4,7-dioxo-1-benzothiophene-2-carboxylate Ethyl 3-methyl-4,7-dioxo-benzothiophene-2-carboxylate
Wiley ID 1564737