| SpectraBase Compound ID | 7tanSzzKVkj |
|---|---|
| InChI | InChI=1S/C12H13BrO2/c1-9(14)11(8-13)7-10-3-5-12(15-2)6-4-10/h3-7H,8H2,1-2H3/b11-7+ |
| InChIKey | TYLMLQNJHORZLJ-YRNVUSSQSA-N |
| Mol Weight | 269.14 g/mol |
| Molecular Formula | C12H13BrO2 |
| Exact Mass | 268.009893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AFbsJ2lYR1h |
|---|---|
| Name | 3-Bromomethyl-4-(4'-methoxyphenyl)-3-buten-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.009892657 u |
| Formula | C12H13BrO2 |
| InChI | InChI=1S/C12H13BrO2/c1-9(14)11(8-13)7-10-3-5-12(15-2)6-4-10/h3-7H,8H2,1-2H3/b11-7+ |
| InChIKey | TYLMLQNJHORZLJ-YRNVUSSQSA-N |
| SMILES | C1(\C=C\(C(=O)C)CBr)=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.840229 |