| SpectraBase Compound ID | 4aCxGCTSPhi |
|---|---|
| InChI | InChI=1S/C6H13Cl/c1-5(2)6(3,4)7/h5H,1-4H3 |
| InChIKey | HEMQRALQJLCVBR-UHFFFAOYSA-N |
| Mol Weight | 120.62 g/mol |
| Molecular Formula | C6H13Cl |
| Exact Mass | 120.070578 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5dAwckxjTAf |
|---|---|
| Name | Butane, 2-chloro-2,3-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 120.070578119 u |
| Formula | C6H13Cl |
| InChI | InChI=1S/C6H13Cl/c1-5(2)6(3,4)7/h5H,1-4H3 |
| InChIKey | HEMQRALQJLCVBR-UHFFFAOYSA-N |
| Molecular Weight | 120.623 g/mol |
| SMILES | CC(C(C)(Cl)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938664 |