| SpectraBase Compound ID | LAuQAdvnA3U |
|---|---|
| InChI | InChI=1S/C10H11BrO/c1-8(11)10(12-2)9-6-4-3-5-7-9/h3-7,10H,1H2,2H3 |
| InChIKey | FIIAVJJMIZHXTD-UHFFFAOYSA-N |
| Mol Weight | 227.1 g/mol |
| Molecular Formula | C10H11BrO |
| Exact Mass | 225.999328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 48443w3lCzS |
|---|---|
| Name | 2-Bromo-3-methoxy-3-phenylpropene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.999327973 u |
| Formula | C10H11BrO |
| InChI | InChI=1S/C10H11BrO/c1-8(11)10(12-2)9-6-4-3-5-7-9/h3-7,10H,1H2,2H3 |
| InChIKey | FIIAVJJMIZHXTD-UHFFFAOYSA-N |
| Molecular Weight | 227.101 g/mol |
| SMILES | C(C(C=1C=CC=CC1)OC)(=C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940831 |