SpectraBase Compound ID | KDFk3Wj0nLp |
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InChI | InChI=1S/C9H17Br/c1-2-3-4-5-6-7-8-9-10/h8-9H,2-7H2,1H3/b9-8+ |
InChIKey | MMUAEPCEWCXZTJ-CMDGGOBGSA-N |
Mol Weight | 205.14 g/mol |
Molecular Formula | C9H17Br |
Exact Mass | 204.051364 g/mol |
SpectraBase Spectrum ID | CsdeeESnmIP |
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Name | (E)-1-Bromanylnon-1-ene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 204.051363547 u |
Formula | C9H17Br |
InChI | InChI=1S/C9H17Br/c1-2-3-4-5-6-7-8-9-10/h8-9H,2-7H2,1H3/b9-8+ |
InChIKey | MMUAEPCEWCXZTJ-CMDGGOBGSA-N |
Molecular Weight | 205.139 g/mol |
SMILES | C(\C=C\Br)CCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934565 |