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1-Hexen-2-ol, 1-(phenylthio)-, acetate, (E)-
SpectraBase Compound ID LDDYhTSwvbc
InChI InChI=1S/C14H18O2S/c1-3-4-8-13(16-12(2)15)11-17-14-9-6-5-7-10-14/h5-7,9-11H,3-4,8H2,1-2H3/b13-11+
InChIKey WBTUFIOAAHKLJL-ACCUITESSA-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 8buZ7fcfEZb
Name 1-Hexen-2-ol, 1-(phenylthio)-, acetate, (E)-
Alternate Name(s) (E)-1-butyl-2-(phenylsulfanyl)ethenyl acetate (E)-2-Acetoxy-1-phenylthiohex-1-ene
CAS Registry Number 123630-47-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2S
InChI InChI=1S/C14H18O2S/c1-3-4-8-13(16-12(2)15)11-17-14-9-6-5-7-10-14/h5-7,9-11H,3-4,8H2,1-2H3/b13-11+
InChIKey WBTUFIOAAHKLJL-ACCUITESSA-N
Molecular Weight 250.356 g/mol
SMILES C(O\C(=C\Sc1ccccc1)CCCC)(=O)C
SPLASH splash10-05g3-9450000000-3ae30119ec5ca9521edf
Source of Spectrum KC-1989-1115-2
Wiley ID 1253231