| SpectraBase Compound ID | 4IgSWuPchky |
|---|---|
| InChI | InChI=1S/C14H13I/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2 |
| InChIKey | CTNREHGTRZZBQM-UHFFFAOYSA-N |
| Mol Weight | 308.16 g/mol |
| Molecular Formula | C14H13I |
| Exact Mass | 308.006195 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1Sy5LFD8eIM |
|---|---|
| Name | Benzene, 1-iodo-4-(2-phenylethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.006195419 u |
| Formula | C14H13I |
| InChI | InChI=1S/C14H13I/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2 |
| InChIKey | CTNREHGTRZZBQM-UHFFFAOYSA-N |
| Molecular Weight | 308.162 g/mol |
| SMILES | C(CC1=CC=C(C=C1)I)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919197 |