SpectraBase Compound ID | qdMKY0s2k2 |
---|---|
InChI | InChI=1S/C14H15Br/c15-13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h1-5,7-9,11-13H,6,10H2/b3-1+,4-2+,13-9- |
InChIKey | ICLCDRJNRXRWTM-SVUMHSJTSA-N |
Mol Weight | 263.18 g/mol |
Molecular Formula | C14H15Br |
Exact Mass | 262.035713 g/mol |
SpectraBase Spectrum ID | IOhOeOMzoEm |
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Name | [(3E,5E,7Z)-8-Bromanylocta-3,5,7-trienyl]benzene |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 262.035713483 u |
Formula | C14H15Br |
InChI | InChI=1S/C14H15Br/c15-13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h1-5,7-9,11-13H,6,10H2/b3-1+,4-2+,13-9- |
InChIKey | ICLCDRJNRXRWTM-SVUMHSJTSA-N |
Molecular Weight | 263.178 g/mol |
SMILES | C(\C=C\C=C\C=C/Br)CC1=CC=CC=C1 |