| SpectraBase Compound ID | BYjZpaReywA |
|---|---|
| InChI | InChI=1S/C9H8Br2O/c1-5-2-6-3-7(10)4-8(11)9(6)12-5/h3-5H,2H2,1H3 |
| InChIKey | WSQVIXGSJNULTB-UHFFFAOYSA-N |
| Mol Weight | 291.97 g/mol |
| Molecular Formula | C9H8Br2O |
| Exact Mass | 289.894191 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4ip4t3xGq0m |
|---|---|
| Name | 5,7-bis(Bromanyl)-2-methyl-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 | 289.894190877 u |
| Formula | C9H8Br2O |
| InChI | InChI=1S/C9H8Br2O/c1-5-2-6-3-7(10)4-8(11)9(6)12-5/h3-5H,2H2,1H3 |
| InChIKey | WSQVIXGSJNULTB-UHFFFAOYSA-N |
| SMILES | C1=2C(=CC(=CC2Br)Br)CC(O1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.820868 |