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5-(Ethoxycarbonyl)-3-methoxy-7-(phenylthio)cyclohepta-2,4,6-trien-1-one
SpectraBase Compound ID K3cTNupCSzl
InChI InChI=1S/C17H16O4S/c1-3-21-17(19)12-9-13(20-2)11-15(18)16(10-12)22-14-7-5-4-6-8-14/h4-11H,3H2,1-2H3
InChIKey JYSRZJLFLOEJGX-UHFFFAOYSA-N
Mol Weight 316.37 g/mol
Molecular Formula C17H16O4S
Exact Mass 316.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6mzcVb0rob8
Name 5-(Ethoxycarbonyl)-3-methoxy-7-(phenylthio)cyclohepta-2,4,6-trien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O4S
InChI InChI=1S/C17H16O4S/c1-3-21-17(19)12-9-13(20-2)11-15(18)16(10-12)22-14-7-5-4-6-8-14/h4-11H,3H2,1-2H3
InChIKey JYSRZJLFLOEJGX-UHFFFAOYSA-N
Molecular Weight 316.371 g/mol
SMILES C=1(C=C(C(=O)C=C(C1)OC)Sc1ccccc1)C(=O)OCC
SPLASH splash10-014r-1295000000-35488a34c626b6a81186
Source of Spectrum F-50-9891-9
Synonyms Ethyl 3-methoxy-5-oxo-6-(phenylsulfanyl)-1,3,6-cycloheptatriene-1-carboxylate
Wiley ID 1316648