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2-Hexen-3-ol, 2-(phenylthio)-, acetate, (E)-
SpectraBase Compound ID D1e4KsjFWX3
InChI InChI=1S/C14H18O2S/c1-4-8-14(16-12(3)15)11(2)17-13-9-6-5-7-10-13/h5-7,9-10H,4,8H2,1-3H3/b14-11+
InChIKey FPFLTENYUVHMMP-SDNWHVSQSA-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 848D3XF3GeB
Name 2-Hexen-3-ol, 2-(phenylthio)-, acetate, (E)-
CAS Registry Number 123639-43-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2S
InChI InChI=1S/C14H18O2S/c1-4-8-14(16-12(3)15)11(2)17-13-9-6-5-7-10-13/h5-7,9-10H,4,8H2,1-3H3/b14-11+
InChIKey FPFLTENYUVHMMP-SDNWHVSQSA-N
Molecular Weight 250.356 g/mol
SMILES C(O\C(=C/(Sc1ccccc1)C)CCC)(=O)C
SPLASH splash10-0a4l-9560000000-fd94f7b12720bae07e9a
Source of Spectrum KC-1989-1115-2
Synonyms (1E)-2-(phenylsulfanyl)-1-propyl-1-propenyl acetate (E)-3-Acetoxy-2-phenyl-thiohex-2-ene
Wiley ID 1253233