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Methyl (5-Phenylthio-2,4-cyclohexadienyl)acetoacetate
SpectraBase Compound ID 9kgp1Ba6DlD
InChI InChI=1S/C17H18O3S/c1-20-17(19)12-14(18)10-13-6-5-9-16(11-13)21-15-7-3-2-4-8-15/h2-9,13H,10-12H2,1H3
InChIKey AOKYKQDWXPCQSA-UHFFFAOYSA-N
Mol Weight 302.39 g/mol
Molecular Formula C17H18O3S
Exact Mass 302.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3krcumfUULp
Name Methyl (5-Phenylthio-2,4-cyclohexadienyl)acetoacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O3S
InChI InChI=1S/C17H18O3S/c1-20-17(19)12-14(18)10-13-6-5-9-16(11-13)21-15-7-3-2-4-8-15/h2-9,13H,10-12H2,1H3
InChIKey AOKYKQDWXPCQSA-UHFFFAOYSA-N
Molecular Weight 302.388 g/mol
SMILES C1(Sc2ccccc2)=CC=CC(C1)CC(CC(=O)OC)=O
SPLASH splash10-0kbr-1964000000-4310de797411ab054d96
Source of Spectrum QA-43-363-10
Synonyms Methyl 3-oxo-4-[5-(phenylsulfanyl)-2,4-cyclohexadien-1-yl]butanoate
Wiley ID 862256