| SpectraBase Compound ID | 2CnLLPQtInR |
|---|---|
| InChI | InChI=1S/C12H25Cl/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12H,3-11H2,1-2H3 |
| InChIKey | IRQJPTVOWBXCHM-UHFFFAOYSA-N |
| Mol Weight | 204.79 g/mol |
| Molecular Formula | C12H25Cl |
| Exact Mass | 204.164479 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 122QTsU1bmh |
|---|---|
| Name | Dodecane, 2-chloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.164478505 u |
| Formula | C12H25Cl |
| InChI | InChI=1S/C12H25Cl/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12H,3-11H2,1-2H3 |
| InChIKey | IRQJPTVOWBXCHM-UHFFFAOYSA-N |
| Molecular Weight | 204.785 g/mol |
| SMILES | C(CCCCCCCC)CC(Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906001 |