| SpectraBase Compound ID | DfAdkBo8oyo |
|---|---|
| InChI | InChI=1S/C10H9BrO2/c1-2-7-3-4-9-10(8(7)5-11)13-6-12-9/h2-4H,1,5-6H2 |
| InChIKey | FLMZMDOKNLLYCD-UHFFFAOYSA-N |
| Mol Weight | 241.08 g/mol |
| Molecular Formula | C10H9BrO2 |
| Exact Mass | 239.978593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 646ip6u0bjE |
|---|---|
| Name | 1,3-Benzodioxole, 4-(bromomethyl)-5-ethenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.978592528 u |
| Formula | C10H9BrO2 |
| InChI | InChI=1S/C10H9BrO2/c1-2-7-3-4-9-10(8(7)5-11)13-6-12-9/h2-4H,1,5-6H2 |
| InChIKey | FLMZMDOKNLLYCD-UHFFFAOYSA-N |
| Molecular Weight | 241.084 g/mol |
| SMILES | C1(=C2C(OCO2)=CC=C1C=C)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.886928 |