![1-[(Benzyloxy)methyl]-2-iodobenzene](/api/spectrum/CPCReLp0nt1/structure.png?h=300&w=458 "1-[(Benzyloxy)methyl]-2-iodobenzene")
| SpectraBase Compound ID | 81xz5o6Sxyl |
|---|---|
| InChI | InChI=1S/C14H13IO/c15-14-9-5-4-8-13(14)11-16-10-12-6-2-1-3-7-12/h1-9H,10-11H2 |
| InChIKey | YEEGRNHJABCOSN-UHFFFAOYSA-N |
| Mol Weight | 324.16 g/mol |
| Molecular Formula | C14H13IO |
| Exact Mass | 324.00111 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CPCReLp0nt1 |
|---|---|
| Name | 1-[(Benzyloxy)methyl]-2-iodobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.001110038 u |
| Formula | C14H13IO |
| InChI | InChI=1S/C14H13IO/c15-14-9-5-4-8-13(14)11-16-10-12-6-2-1-3-7-12/h1-9H,10-11H2 |
| InChIKey | YEEGRNHJABCOSN-UHFFFAOYSA-N |
| Molecular Weight | 324.161 g/mol |
| SMILES | C=1(C(=CC=CC1)I)COCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.828936 |