| SpectraBase Compound ID | C4IgG8DoSXY |
|---|---|
| InChI | InChI=1S/C9H11I/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,1-2H3 |
| InChIKey | PQJOSEVTIKYWLH-UHFFFAOYSA-N |
| Mol Weight | 246.09 g/mol |
| Molecular Formula | C9H11I |
| Exact Mass | 245.990545 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2GMatMNC6jC |
|---|---|
| Name | p-Iodocumene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.990545354 u |
| Formula | C9H11I |
| InChI | InChI=1S/C9H11I/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,1-2H3 |
| InChIKey | PQJOSEVTIKYWLH-UHFFFAOYSA-N |
| Molecular Weight | 246.091 g/mol |
| SMILES | CC(C1=CC=C(I)C=C1)C |
| Spectrum/Structure Validation Score (Raman) | 0.952844 |