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8-Bromo-1-(phenylthio)-3,7-dimethyl-2,6-octadiene
SpectraBase Compound ID 8GF3yDSDiNY
InChI InChI=1S/C16H21BrS/c1-14(7-6-8-15(2)13-17)11-12-18-16-9-4-3-5-10-16/h3-5,8-11H,6-7,12-13H2,1-2H3/b14-11-,15-8+
InChIKey HAESQPPNIQHZAC-WFVWYMPTSA-N
Mol Weight 325.31 g/mol
Molecular Formula C16H21BrS
Exact Mass 324.054735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3WIsXBvmnmL
Name 8-Bromo-1-(phenylthio)-3,7-dimethyl-2,6-octadiene
Alternate Name(s) (2Z,6E)-8-bromo-3,7-dimethyl-2,6-octadienyl phenyl sulfide {[(2Z,6E)-8-bromo-3,7-dimethyl-2,6-octadienyl]sulfanyl}benzene
CAS Registry Number 97634-66-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21BrS
InChI InChI=1S/C16H21BrS/c1-14(7-6-8-15(2)13-17)11-12-18-16-9-4-3-5-10-16/h3-5,8-11H,6-7,12-13H2,1-2H3/b14-11-,15-8+
InChIKey HAESQPPNIQHZAC-WFVWYMPTSA-N
Molecular Weight 325.308 g/mol
SMILES C(\C=C\(CBr)C)C\C(=C/CSc1ccccc1)C
SPLASH splash10-014r-9410000000-3d7d94813d1a685d48e7
Source of Spectrum J-50-3771-13
Wiley ID 1323043