| SpectraBase Compound ID | AMJU5PyIJlZ |
|---|---|
| InChI | InChI=1S/C12H17I/c1-8(2)10-5-6-12(13)11(7-10)9(3)4/h5-9H,1-4H3 |
| InChIKey | FOQSTELRKYHMFD-UHFFFAOYSA-N |
| Mol Weight | 288.17 g/mol |
| Molecular Formula | C12H17I |
| Exact Mass | 288.037496 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GrejEGH1nTX |
|---|---|
| Name | 1,3-Diisopropyl-4-iodobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.037495547 u |
| Formula | C12H17I |
| InChI | InChI=1S/C12H17I/c1-8(2)10-5-6-12(13)11(7-10)9(3)4/h5-9H,1-4H3 |
| InChIKey | FOQSTELRKYHMFD-UHFFFAOYSA-N |
| Molecular Weight | 288.172 g/mol |
| SMILES | C=1C(=CC(=C(C1)I)C(C)C)C(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.960035 |