| SpectraBase Compound ID | 5aLhr9rw3as |
|---|---|
| InChI | InChI=1S/C13H17IO/c1-2-13(9-6-10-14)15-11-12-7-4-3-5-8-12/h2-5,7-8,13H,1,6,9-11H2 |
| InChIKey | RKCJMEMQNFNETE-UHFFFAOYSA-N |
| Mol Weight | 316.18 g/mol |
| Molecular Formula | C13H17IO |
| Exact Mass | 316.03241 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3EG0Tjed7dd |
|---|---|
| Name | 3-Benzyloxy-6-iodo-1-hexene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.032410166 u |
| Formula | C13H17IO |
| InChI | InChI=1S/C13H17IO/c1-2-13(9-6-10-14)15-11-12-7-4-3-5-8-12/h2-5,7-8,13H,1,6,9-11H2 |
| InChIKey | RKCJMEMQNFNETE-UHFFFAOYSA-N |
| Molecular Weight | 316.182 g/mol |
| SMILES | C(=C)C(OCC=1C=CC=CC1)CCCI |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927289 |