| SpectraBase Compound ID | 17UDjSqsfHw |
|---|---|
| InChI | InChI=1S/C10H13BrO/c1-8-3-4-10(12-2)7-9(8)5-6-11/h3-4,7H,5-6H2,1-2H3 |
| InChIKey | QIZZGYSDBUACCB-UHFFFAOYSA-N |
| Mol Weight | 229.12 g/mol |
| Molecular Formula | C10H13BrO |
| Exact Mass | 228.014978 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7Sf0QPoxVJn |
|---|---|
| Name | 2-(2-Bromoethyl)-4-methoxy-1-methylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.014978038 u |
| Formula | C10H13BrO |
| InChI | InChI=1S/C10H13BrO/c1-8-3-4-10(12-2)7-9(8)5-6-11/h3-4,7H,5-6H2,1-2H3 |
| InChIKey | QIZZGYSDBUACCB-UHFFFAOYSA-N |
| Molecular Weight | 229.117 g/mol |
| SMILES | C1(=C(C=CC(=C1)OC)C)CCBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.911639 |