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5-(Ethoxycarbonyl)-3-methoxy-5-[(2-phenylthio)-1-ethenyl]cyclopent-2-en-1-one
SpectraBase Compound ID KGYYHIpLQd2
InChI InChI=1S/C17H18O4S/c1-3-21-16(19)17(12-13(20-2)11-15(17)18)9-10-22-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3/b10-9+
InChIKey ZRRLKQIAJCZHJN-MDZDMXLPSA-N
Mol Weight 318.39 g/mol
Molecular Formula C17H18O4S
Exact Mass 318.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Klf6iMGhn5C
Name 5-(Ethoxycarbonyl)-3-methoxy-5-[(2-phenylthio)-1-ethenyl]cyclopent-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O4S
InChI InChI=1S/C17H18O4S/c1-3-21-16(19)17(12-13(20-2)11-15(17)18)9-10-22-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3/b10-9+
InChIKey ZRRLKQIAJCZHJN-MDZDMXLPSA-N
Molecular Weight 318.387 g/mol
SMILES C1(C(C=C(C1)OC)=O)(C(=O)OCC)\C=C\Sc1ccccc1
SPLASH splash10-0aor-3794000000-1276e00dce271c5d71d0
Source of Spectrum F-50-9891-10
Synonyms Ethyl 4-methoxy-2-oxo-1-[(E)-2-(phenylsulfanyl)ethenyl]-3-cyclopentene-1-carboxylate
Wiley ID 1318373