| SpectraBase Compound ID | 52ZVFDfGuTD |
|---|---|
| InChI | InChI=1S/C10H13IO/c1-8(11)10(12-2)9-6-4-3-5-7-9/h3-8,10H,1-2H3 |
| InChIKey | KCZRDNMAHRKDTQ-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 | AtlmtdlsIwC |
|---|---|
| Name | 2-Iodo-1-methoxy-1-phenylpropane |
| 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/c1-8(11)10(12-2)9-6-4-3-5-7-9/h3-8,10H,1-2H3 |
| InChIKey | KCZRDNMAHRKDTQ-UHFFFAOYSA-N |
| Molecular Weight | 276.117 g/mol |
| SMILES | C(C(C)I)(C=1C=CC=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942831 |