| SpectraBase Compound ID | DNM07M7YCe1 |
|---|---|
| InChI | InChI=1S/C15H19I/c1-2-3-4-8-11-15(16)13-12-14-9-6-5-7-10-14/h5-10H,2-4,12-13H2,1H3 |
| InChIKey | SSMIXSKFPVVFFJ-UHFFFAOYSA-N |
| Mol Weight | 326.22 g/mol |
| Molecular Formula | C15H19I |
| Exact Mass | 326.053146 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 62gP1CJQFNB |
|---|---|
| Name | 3-Iodo-1-phenyl-3,4-nonadiene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.053145612 u |
| Formula | C15H19I |
| InChI | InChI=1S/C15H19I/c1-2-3-4-8-11-15(16)13-12-14-9-6-5-7-10-14/h5-10H,2-4,12-13H2,1H3 |
| InChIKey | SSMIXSKFPVVFFJ-UHFFFAOYSA-N |
| Molecular Weight | 326.221 g/mol |
| SMILES | C(=C=CCCCC)(I)CCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980719 |