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6-(ethylthio)-3-methoxy-5-oxo-1-cyclohepta-1,3,6-trienecarboxylic acid methyl ester
SpectraBase Compound ID 9PmeuufjhCD
InChI InChI=1S/C12H14O4S/c1-4-17-11-6-8(12(14)16-3)5-9(15-2)7-10(11)13/h5-7H,4H2,1-3H3
InChIKey FIBNNKBHVIZJTF-UHFFFAOYSA-N
Mol Weight 254.3 g/mol
Molecular Formula C12H14O4S
Exact Mass 254.06128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CEJmyGhHdVu
Name 6-(ethylthio)-3-methoxy-5-oxo-1-cyclohepta-1,3,6-trienecarboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4S
InChI InChI=1S/C12H14O4S/c1-4-17-11-6-8(12(14)16-3)5-9(15-2)7-10(11)13/h5-7H,4H2,1-3H3
InChIKey FIBNNKBHVIZJTF-UHFFFAOYSA-N
Molecular Weight 254.300 g/mol
SMILES C=1(C=C(C(=O)C=C(C1)OC)SCC)C(=O)OC
SPLASH splash10-0uk9-2590000000-46c8655a83546c46d29a
Source of Spectrum F-50-9891-9
Synonyms 6-(ethylthio)-5-keto-3-methoxy-cyclohepta-1,3,6-triene-1-carboxylic acid methyl ester Methyl 6-ethylsulfanyl-3-methoxy-5-oxidanylidene-cyclohepta-1,3,6-triene-1-carboxylate Methyl 6-ethylsulfanyl-3-methoxy-5-oxo-cyclohepta-1,3,6-triene-1-carboxylate
Wiley ID 1257363