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(Z)-1-((2-Iodobenzyl)thio)oct-1-en-2-yl acetate

View entire compound with spectra: 1 MS (GC)

(Z)-1-((2-Iodobenzyl)thio)oct-1-en-2-yl acetate
SpectraBase Compound ID 6276fx7Tmor
InChI InChI=1S/C17H23IO2S/c1-3-4-5-6-10-16(20-14(2)19)13-21-12-15-9-7-8-11-17(15)18/h7-9,11,13H,3-6,10,12H2,1-2H3/b16-13-
InChIKey UCKFUOKIGSFERN-SSZFMOIBSA-N
Mol Weight 418.33 g/mol
Molecular Formula C17H23IO2S
Exact Mass 418.046346 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4D69RypSMLH
Name (Z)-1-((2-Iodobenzyl)thio)oct-1-en-2-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23IO2S
InChI InChI=1S/C17H23IO2S/c1-3-4-5-6-10-16(20-14(2)19)13-21-12-15-9-7-8-11-17(15)18/h7-9,11,13H,3-6,10,12H2,1-2H3/b16-13-
InChIKey UCKFUOKIGSFERN-SSZFMOIBSA-N
Literature Reference DOI 10.1039/c4ob01011f
Molecular Weight 418.333 g/mol
SMILES C(CCC\C(=C\SCc1ccccc1I)OC(=O)C)CC
SPLASH splash10-014l-8194000000-d1c68418abdbc8d41ff1
Source of Spectrum F5-12-6524-25
Wiley ID 1747599