| SpectraBase Compound ID | 8x27T5KCNkd |
|---|---|
| InChI | InChI=1S/C10H13IO/c1-12-10(7-8-11)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3 |
| InChIKey | UZMKCHHXIXWOBP-UHFFFAOYSA-N |
| Mol Weight | 276.12 g/mol |
| Molecular Formula | C10H13IO |
| Exact Mass | 276.00111 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IKtM56zlLZ9 |
|---|---|
| Name | Benzene, (3-iodo-1-methoxypropyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.001110038 u |
| Formula | C10H13IO |
| InChI | InChI=1S/C10H13IO/c1-12-10(7-8-11)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3 |
| InChIKey | UZMKCHHXIXWOBP-UHFFFAOYSA-N |
| Molecular Weight | 276.117 g/mol |
| SMILES | C1=CC=CC(=C1)C(CCI)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.874424 |