| SpectraBase Compound ID | 7PZxeTfjN4k |
|---|---|
| InChI | InChI=1S/C8H17Cl/c1-5-8(4,9)6-7(2)3/h7H,5-6H2,1-4H3 |
| InChIKey | SYKUKUWLGOVGGT-UHFFFAOYSA-N |
| Mol Weight | 148.68 g/mol |
| Molecular Formula | C8H17Cl |
| Exact Mass | 148.101878 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KaWTHnOgQNo |
|---|---|
| Name | 4-Chloro-2,4-dimethylhexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.101878247 u |
| Formula | C8H17Cl |
| InChI | InChI=1S/C8H17Cl/c1-5-8(4,9)6-7(2)3/h7H,5-6H2,1-4H3 |
| InChIKey | SYKUKUWLGOVGGT-UHFFFAOYSA-N |
| Molecular Weight | 148.677 g/mol |
| SMILES | CC(CC(CC)(C)Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935715 |