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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FzmQ2vJZUKH
Name 8-Bromo-1-(phenylthio)-3,7-dimethyl-2,6-octadiene
Comments Computed using HOSE algorithm
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Exact Mass 324.054734850 u
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/CSC1=CC=CC=C1)C