| SpectraBase Compound ID | EQ0upn9R3nQ |
|---|---|
| InChI | InChI=1S/C14H9I/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H |
| InChIKey | CBFIPOTVFMLMFQ-UHFFFAOYSA-N |
| Mol Weight | 304.13 g/mol |
| Molecular Formula | C14H9I |
| Exact Mass | 303.974895 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | AnQ9AE4gFdR |
|---|---|
| Name | 9-Iodophenanthrene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.974895290 u |
| Formula | C14H9I |
| InChI | InChI=1S/C14H9I/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H |
| InChIKey | CBFIPOTVFMLMFQ-UHFFFAOYSA-N |
| Molecular Weight | 304.130 g/mol |
| SMILES | C1(I)=C2C=CC=CC2=C2C=CC=CC2=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.952328 |