| SpectraBase Compound ID | 98IIoCg7q0q |
|---|---|
| InChI | InChI=1S/C5H11Cl/c1-4(2)5(3)6/h4-5H,1-3H3 |
| InChIKey | JMTRCXPSDMMAGM-UHFFFAOYSA-N |
| Mol Weight | 106.6 g/mol |
| Molecular Formula | C5H11Cl |
| Exact Mass | 106.054928 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BA8OZ9knDD4 |
|---|---|
| Name | Butane, 2-chloro-3-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 106.054928054 u |
| Formula | C5H11Cl |
| InChI | InChI=1S/C5H11Cl/c1-4(2)5(3)6/h4-5H,1-3H3 |
| InChIKey | JMTRCXPSDMMAGM-UHFFFAOYSA-N |
| Molecular Weight | 106.596 g/mol |
| SMILES | C(C(C)C)(C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932109 |