| SpectraBase Compound ID | KW5rxUTei14 |
|---|---|
| InChI | InChI=1S/C8H17Cl/c1-4-8(9)6-5-7(2)3/h7-8H,4-6H2,1-3H3 |
| InChIKey | GMLQONWBBDPDQO-UHFFFAOYSA-N |
| Mol Weight | 148.68 g/mol |
| Molecular Formula | C8H17Cl |
| Exact Mass | 148.101878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6EN3QB1ddSl |
|---|---|
| Name | Isooctyl chloride |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.101878247 u |
| Formula | C8H17Cl |
| InChI | InChI=1S/C8H17Cl/c1-4-8(9)6-5-7(2)3/h7-8H,4-6H2,1-3H3 |
| InChIKey | GMLQONWBBDPDQO-UHFFFAOYSA-N |
| Molecular Weight | 148.677 g/mol |
| SMILES | CCC(Cl)CCC(C)C |