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4-Octen-4-ol, 5-(phenylthio)-, acetate, (E)-
SpectraBase Compound ID 5sv3Ux0p6jc
InChI InChI=1S/C16H22O2S/c1-4-9-15(18-13(3)17)16(10-5-2)19-14-11-7-6-8-12-14/h6-8,11-12H,4-5,9-10H2,1-3H3/b16-15+
InChIKey FGUGBTNNOCAJOW-FOCLMDBBSA-N
Mol Weight 278.41 g/mol
Molecular Formula C16H22O2S
Exact Mass 278.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZcnSYBHOFm
Name 4-Octen-4-ol, 5-(phenylthio)-, acetate, (E)-
Alternate Name(s) (1E)-2-(phenylsulfanyl)-1-propyl-1-pentenyl acetate (E)-4-Acetoxy-5-phenylthio-oct-4-ene
CAS Registry Number 123630-52-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O2S
InChI InChI=1S/C16H22O2S/c1-4-9-15(18-13(3)17)16(10-5-2)19-14-11-7-6-8-12-14/h6-8,11-12H,4-5,9-10H2,1-3H3/b16-15+
InChIKey FGUGBTNNOCAJOW-FOCLMDBBSA-N
Molecular Weight 278.410 g/mol
SMILES C(O\C(=C/(Sc1ccccc1)CCC)CCC)(=O)C
SPLASH splash10-000i-4190000000-14b1d6fe93599b8b0c57
Source of Spectrum KC-1989-1116-2
Wiley ID 1281997