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Methyl 3-(phenylthio)-7-oxooct-2-enoate (Z)
SpectraBase Compound ID HUDButqsYRe
InChI InChI=1S/C15H18O3S/c1-12(16)7-6-10-14(11-15(17)18-2)19-13-8-4-3-5-9-13/h3-5,8-9,11H,6-7,10H2,1-2H3/b14-11-
InChIKey DIUSXJZAFUNBAI-KAMYIIQDSA-N
Mol Weight 278.37 g/mol
Molecular Formula C15H18O3S
Exact Mass 278.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3jJhj0auv0T
Name Methyl 3-(phenylthio)-7-oxooct-2-enoate (Z)
CAS Registry Number 105090-02-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O3S
InChI InChI=1S/C15H18O3S/c1-12(16)7-6-10-14(11-15(17)18-2)19-13-8-4-3-5-9-13/h3-5,8-9,11H,6-7,10H2,1-2H3/b14-11-
InChIKey DIUSXJZAFUNBAI-KAMYIIQDSA-N
Molecular Weight 278.366 g/mol
SMILES c1(S\C(=C/C(=O)OC)CCCC(=O)C)ccccc1
SPLASH splash10-03du-4940000000-608d29485b11d14c7e26
Source of Spectrum J-52-116-0
Synonyms Methyl (2Z)-7-oxo-3-(phenylsulfanyl)-2-octenoate
Wiley ID 1281846