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(E)-Ethyl 6-phenylthio-2-hexenoate
SpectraBase Compound ID 2XWmfTghqnV
InChI InChI=1S/C14H18O2S/c1-2-16-14(15)11-7-4-8-12-17-13-9-5-3-6-10-13/h3,5-7,9-11H,2,4,8,12H2,1H3/b11-7+
InChIKey VHAMOMKPPKKQEU-YRNVUSSQSA-N
Mol Weight 250.36 g/mol
Molecular Formula C14H18O2S
Exact Mass 250.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HO6UKmHTWdA
Name (E)-Ethyl 6-phenylthio-2-hexenoate
Comments Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1253250 moved to the Legacy library
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Formula C14H18O2S
InChI InChI=1S/C14H18O2S/c1-2-16-14(15)11-7-4-8-12-17-13-9-5-3-6-10-13/h3,5-7,9-11H,2,4,8,12H2,1H3/b11-7+
InChIKey VHAMOMKPPKKQEU-YRNVUSSQSA-N
Molecular Weight 250.356 g/mol
SMILES C(\C=C\CCCSc1ccccc1)(=O)OCC
SPLASH splash10-022d-5910000000-277a1befb981de862595
Source of Spectrum F-48-2039-24
Synonyms Ethyl (2E)-6-(phenylsulfanyl)-2-hexenoate
Wiley ID 1821235