| SpectraBase Compound ID | 5QdJnsMAiFf |
|---|---|
| InChI | InChI=1S/C14H11IO/c15-13-9-5-4-8-12(13)14(16)10-11-6-2-1-3-7-11/h1-9H,10H2 |
| InChIKey | BTPSGRKMOFIPPW-UHFFFAOYSA-N |
| Mol Weight | 322.15 g/mol |
| Molecular Formula | C14H11IO |
| Exact Mass | 321.98546 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9qHfiE6JWQr |
|---|---|
| Name | 1-(2-Iodophenyl)-2-phenylethanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.985459973 u |
| Formula | C14H11IO |
| InChI | InChI=1S/C14H11IO/c15-13-9-5-4-8-12(13)14(16)10-11-6-2-1-3-7-11/h1-9H,10H2 |
| InChIKey | BTPSGRKMOFIPPW-UHFFFAOYSA-N |
| Molecular Weight | 322.145 g/mol |
| SMILES | C(=O)(C=1C=CC=CC1I)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.82069 |