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(E)-8-bromo-3-(phenylthio)-1,3-octadiene
SpectraBase Compound ID DIa3CpQEw1b
InChI InChI=1S/C14H17BrS/c1-2-13(9-7-4-8-12-15)16-14-10-5-3-6-11-14/h2-3,5-6,9-11H,1,4,7-8,12H2/b13-9+
InChIKey IQDXDAHTNDDZKX-UKTHLTGXSA-N
Mol Weight 297.25 g/mol
Molecular Formula C14H17BrS
Exact Mass 296.023435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2cFYZKD8gv7
Name (E)-8-bromo-3-(phenylthio)-1,3-octadiene
Alternate Name(s) (1E)-6-bromo-1-vinyl-1-hexenyl phenyl sulfide {[(1E)-6-bromo-1-vinyl-1-hexenyl]sulfanyl}benzene
CAS Registry Number 123289-41-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17BrS
InChI InChI=1S/C14H17BrS/c1-2-13(9-7-4-8-12-15)16-14-10-5-3-6-11-14/h2-3,5-6,9-11H,1,4,7-8,12H2/b13-9+
InChIKey IQDXDAHTNDDZKX-UKTHLTGXSA-N
Molecular Weight 297.254 g/mol
SMILES c1(S\C(C=C)=C/CCCCBr)ccccc1
SPLASH splash10-002g-7890000000-93f4131e4f151188167f
Source of Spectrum J-54-5818-7
Wiley ID 1298783