SpectraBase Compound ID | FC4M8gSF11C |
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InChI | InChI=1S/C9H19Br/c1-3-9(2)7-5-4-6-8-10/h9H,3-8H2,1-2H3 |
InChIKey | TWDAVWNDGHYAJZ-UHFFFAOYSA-N |
Mol Weight | 207.15 g/mol |
Molecular Formula | C9H19Br |
Exact Mass | 206.067014 g/mol |
SpectraBase Spectrum ID | 7yQbhtZiz0y |
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Name | 1-Bromo-6-methyloctane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 206.067013612 u |
Formula | C9H19Br |
InChI | InChI=1S/C9H19Br/c1-3-9(2)7-5-4-6-8-10/h9H,3-8H2,1-2H3 |
InChIKey | TWDAVWNDGHYAJZ-UHFFFAOYSA-N |
Molecular Weight | 207.155 g/mol |
SMILES | CCC(CCCCCBr)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918069 |