SpectraBase Compound ID | 74U78mHgtLr |
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InChI | InChI=1S/C8H13Br/c9-7-6-8-4-2-1-3-5-8/h6-8H,1-5H2/b7-6- |
InChIKey | BMFWWXHEKBIRMY-SREVYHEPSA-N |
Mol Weight | 189.1 g/mol |
Molecular Formula | C8H13Br |
Exact Mass | 188.020063 g/mol |
SpectraBase Spectrum ID | LgCoEdL02fX |
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Name | [(Z)-2-Bromanylethenyl]cyclohexane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 188.020063419 u |
Formula | C8H13Br |
InChI | InChI=1S/C8H13Br/c9-7-6-8-4-2-1-3-5-8/h6-8H,1-5H2/b7-6- |
InChIKey | BMFWWXHEKBIRMY-SREVYHEPSA-N |
Molecular Weight | 189.096 g/mol |
SMILES | C1(\C=C/Br)CCCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935969 |