| SpectraBase Compound ID | Hugouy0aosa |
|---|---|
| InChI | InChI=1S/C10H5BrO2/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-5H |
| InChIKey | ZUAIQPLHNIKQPF-UHFFFAOYSA-N |
| Mol Weight | 237.05 g/mol |
| Molecular Formula | C10H5BrO2 |
| Exact Mass | 235.947292 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | rnuICoyxwi |
|---|---|
| Name | 1,2-Naphthalenedione, 3-bromo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.947292399 u |
| Formula | C10H5BrO2 |
| InChI | InChI=1S/C10H5BrO2/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-5H |
| InChIKey | ZUAIQPLHNIKQPF-UHFFFAOYSA-N |
| Molecular Weight | 237.052 g/mol |
| SMILES | C1(=O)C(=O)C(Br)=CC=2C1=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931108 |