SpectraBase Compound ID | 8GF3yDSDiNY |
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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 |
SpectraBase Spectrum ID | FzmQ2vJZUKH |
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Name | 8-Bromo-1-(phenylthio)-3,7-dimethyl-2,6-octadiene |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
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 |