| SpectraBase Compound ID | 3kjUHxDJVjy |
|---|---|
| InChI | InChI=1S/C10H21Cl/c1-4-6-8-10(3,11)9-7-5-2/h4-9H2,1-3H3 |
| InChIKey | FYIAPWZQRBQNSP-UHFFFAOYSA-N |
| Mol Weight | 176.73 g/mol |
| Molecular Formula | C10H21Cl |
| Exact Mass | 176.133178 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7v8cQXTUV1O |
|---|---|
| Name | 5-Chloro-5-methylnonane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.133178376 u |
| Formula | C10H21Cl |
| InChI | InChI=1S/C10H21Cl/c1-4-6-8-10(3,11)9-7-5-2/h4-9H2,1-3H3 |
| InChIKey | FYIAPWZQRBQNSP-UHFFFAOYSA-N |
| Molecular Weight | 176.731 g/mol |
| SMILES | CC(CCCC)(Cl)CCCC |
| Spectrum/Structure Validation Score (Raman) | 0.950543 |