| SpectraBase Compound ID | LMUBg6PoFNa |
|---|---|
| InChI | InChI=1S/C9H9Br/c1-9(10)6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3 |
| InChIKey | GNCRKMHIAGKVEH-UHFFFAOYSA-N |
| Mol Weight | 197.07 g/mol |
| Molecular Formula | C9H9Br |
| Exact Mass | 195.988763 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4ZYtdVbbEPr |
|---|---|
| Name | Benzocyclobutene, 1-bromo-1-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.988763290 u |
| Formula | C9H9Br |
| InChI | InChI=1S/C9H9Br/c1-9(10)6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3 |
| InChIKey | GNCRKMHIAGKVEH-UHFFFAOYSA-N |
| Molecular Weight | 197.075 g/mol |
| SMILES | C1=C2C(C(C2)(Br)C)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954941 |