| SpectraBase Compound ID | Ez39nYfHWoH |
|---|---|
| InChI | InChI=1S/C10H11BrO/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,7H,3-6H2 |
| InChIKey | JRKZQRRYNCMSCB-UHFFFAOYSA-N |
| Mol Weight | 227.1 g/mol |
| Molecular Formula | C10H11BrO |
| Exact Mass | 225.999328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AdgiO31NQ7b |
|---|---|
| Name | 5-(2-Bromoethyl)-2,3-dihydro-1-benzofuran |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.999327973 u |
| Formula | C10H11BrO |
| InChI | InChI=1S/C10H11BrO/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,7H,3-6H2 |
| InChIKey | JRKZQRRYNCMSCB-UHFFFAOYSA-N |
| Molecular Weight | 227.101 g/mol |
| SMILES | C(Br)CC1=CC2=C(C=C1)OCC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970222 |