SpectraBase Compound ID | I6AEwCksBhX |
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InChI | InChI=1S/C11H19Cl/c1-9(7-10(2)12)8-11-5-3-4-6-11/h3,5,9-11H,4,6-8H2,1-2H3 |
InChIKey | NIRPKOOCXBDBRG-UHFFFAOYSA-N |
Mol Weight | 186.73 g/mol |
Molecular Formula | C11H19Cl |
Exact Mass | 186.117528 g/mol |
SpectraBase Spectrum ID | 6jlE9Ojn98p |
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Name | Cyclopentene, 3-(4-chloro-2-methylpentyl)- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 186.117528312 u |
Formula | C11H19Cl |
InChI | InChI=1S/C11H19Cl/c1-9(7-10(2)12)8-11-5-3-4-6-11/h3,5,9-11H,4,6-8H2,1-2H3 |
InChIKey | NIRPKOOCXBDBRG-UHFFFAOYSA-N |
Molecular Weight | 186.726 g/mol |
SMILES | C1=CCCC1CC(CC(Cl)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.838126 |