| SpectraBase Compound ID | 4LNdXC9swJw |
|---|---|
| InChI | InChI=1S/C9H11BrO/c1-3-11-8-4-5-9(10)7(2)6-8/h4-6H,3H2,1-2H3 |
| InChIKey | YDVQAAWPYJCMHH-UHFFFAOYSA-N |
| Mol Weight | 215.09 g/mol |
| Molecular Formula | C9H11BrO |
| Exact Mass | 213.999328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JG0nJLW3WHf |
|---|---|
| Name | 1-Bromanyl-4-ethoxy-2-methyl-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.999327973 u |
| Formula | C9H11BrO |
| InChI | InChI=1S/C9H11BrO/c1-3-11-8-4-5-9(10)7(2)6-8/h4-6H,3H2,1-2H3 |
| InChIKey | YDVQAAWPYJCMHH-UHFFFAOYSA-N |
| Molecular Weight | 215.090 g/mol |
| SMILES | C=1(C(=CC=C(C1)OCC)Br)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962886 |