| SpectraBase Compound ID | F6r1iWj02gl |
|---|---|
| InChI | InChI=1S/C13H15IO2/c1-2-12(9-6-10-14)16-13(15)11-7-4-3-5-8-11/h2-5,7-8,12H,1,6,9-10H2 |
| InChIKey | LUQLRXDPXLYABM-UHFFFAOYSA-N |
| Mol Weight | 330.17 g/mol |
| Molecular Formula | C13H15IO2 |
| Exact Mass | 330.011675 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2DgjScG8AHQ |
|---|---|
| Name | 3-Benzoyloxy-6-iodo-1-hexene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.011674721 u |
| Formula | C13H15IO2 |
| InChI | InChI=1S/C13H15IO2/c1-2-12(9-6-10-14)16-13(15)11-7-4-3-5-8-11/h2-5,7-8,12H,1,6,9-10H2 |
| InChIKey | LUQLRXDPXLYABM-UHFFFAOYSA-N |
| Molecular Weight | 330.165 g/mol |
| SMILES | C(OC(C=C)CCCI)(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963501 |