| SpectraBase Compound ID | IHIPux4TDnP |
|---|---|
| InChI | InChI=1S/C4H8ClI/c5-3-1-2-4-6/h1-4H2 |
| InChIKey | JXOSPTBRSOYXGC-UHFFFAOYSA-N |
| Mol Weight | 218.47 g/mol |
| Molecular Formula | C4H8ClI |
| Exact Mass | 217.935923 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | E0rZXXVpzGJ |
|---|---|
| Name | 1-Chloro-4-iodobutane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.935922958 u |
| Formula | C4H8ClI |
| InChI | InChI=1S/C4H8ClI/c5-3-1-2-4-6/h1-4H2 |
| InChIKey | JXOSPTBRSOYXGC-UHFFFAOYSA-N |
| Molecular Weight | 218.465 g/mol |
| SMILES | C(CI)CCCl |
| Spectrum/Structure Validation Score (Raman) | 0.90584 |