| SpectraBase Compound ID | 3AiNJE77R7E |
|---|---|
| InChI | InChI=1S/C14H20ClI/c1-13(2,3)9-7-10(14(4,5)6)12(15)11(16)8-9/h7-8H,1-6H3 |
| InChIKey | NEWZZWRLHXVNLV-UHFFFAOYSA-N |
| Mol Weight | 350.67 g/mol |
| Molecular Formula | C14H20ClI |
| Exact Mass | 350.029823 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BKKr1E2vcee |
|---|---|
| Name | 2-Chloro-1,5-di-tert-butyl-3-iodobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.029823344 u |
| Formula | C14H20ClI |
| InChI | InChI=1S/C14H20ClI/c1-13(2,3)9-7-10(14(4,5)6)12(15)11(16)8-9/h7-8H,1-6H3 |
| InChIKey | NEWZZWRLHXVNLV-UHFFFAOYSA-N |
| Molecular Weight | 350.671 g/mol |
| SMILES | C=1C(=C(C(=CC1C(C)(C)C)C(C)(C)C)Cl)I |
| Spectrum/Structure Validation Score (Raman) | 0.974755 |