| SpectraBase Compound ID | FCrDozmVLG5 |
|---|---|
| InChI | InChI=1S/C14H20BrI/c1-13(2,3)9-7-10(14(4,5)6)12(16)8-11(9)15/h7-8H,1-6H3 |
| InChIKey | TVJSWFZVSVVRAO-UHFFFAOYSA-N |
| Mol Weight | 395.12 g/mol |
| Molecular Formula | C14H20BrI |
| Exact Mass | 393.979309 g/mol |
Raman Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5WMicgRXkug |
|---|---|
| Name | 1-Bromo-2,4-di-tert-butyl-5-iodobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 393.979308644 u |
| Formula | C14H20BrI |
| InChI | InChI=1S/C14H20BrI/c1-13(2,3)9-7-10(14(4,5)6)12(16)8-11(9)15/h7-8H,1-6H3 |
| InChIKey | TVJSWFZVSVVRAO-UHFFFAOYSA-N |
| Molecular Weight | 395.122 g/mol |
| SMILES | C1=C(C(=CC(=C1I)C(C)(C)C)C(C)(C)C)Br |
| Spectrum/Structure Validation Score (Raman) | 0.919636 |