| SpectraBase Compound ID | 1xjTBx9a91X |
|---|---|
| InChI | InChI=1S/C9H8Br2O2/c1-13-7-4-2-6(3-5-7)8(12)9(10)11/h2-5,9H,1H3 |
| InChIKey | WZCPFTTUVDBPOG-UHFFFAOYSA-N |
| Mol Weight | 307.97 g/mol |
| Molecular Formula | C9H8Br2O2 |
| Exact Mass | 305.889105 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LBfaCTgbFbN |
|---|---|
| Name | 2,2-Dibromo-1-(4-methoxyphenyl)-ethanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.889105496 u |
| Formula | C9H8Br2O2 |
| InChI | InChI=1S/C9H8Br2O2/c1-13-7-4-2-6(3-5-7)8(12)9(10)11/h2-5,9H,1H3 |
| InChIKey | WZCPFTTUVDBPOG-UHFFFAOYSA-N |
| Molecular Weight | 307.969 g/mol |
| SMILES | C(=O)(C(Br)Br)C1=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.862704 |