| SpectraBase Compound ID | 3fu44avOAFa |
|---|---|
| InChI | InChI=1S/C10H11BrO/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5H,6H2,1-2H3 |
| InChIKey | XTVAFNBOFMUWAK-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 | 6CPAzGqepnt |
|---|---|
| Name | 7-Bromo-2,3-dihydro-2,2-dimethylbenzofuran |
| 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/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5H,6H2,1-2H3 |
| InChIKey | XTVAFNBOFMUWAK-UHFFFAOYSA-N |
| Molecular Weight | 227.101 g/mol |
| SMILES | C1(OC=2C(C1)=CC=CC2Br)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.827777 |