| SpectraBase Compound ID | LeB86ZRNLOi |
|---|---|
| InChI | InChI=1S/C8H5BrO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4H2 |
| InChIKey | BELKVKMBIAENSA-UHFFFAOYSA-N |
| Mol Weight | 213.03 g/mol |
| Molecular Formula | C8H5BrO2 |
| Exact Mass | 211.947292 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Cf2zZUbEjqM |
|---|---|
| Name | 1(3H)-Isobenzofuranone, 6-bromo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.947292399 u |
| Formula | C8H5BrO2 |
| InChI | InChI=1S/C8H5BrO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4H2 |
| InChIKey | BELKVKMBIAENSA-UHFFFAOYSA-N |
| Molecular Weight | 213.030 g/mol |
| SMILES | C12=C(C=CC(=C2)Br)COC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928047 |