| SpectraBase Compound ID | FTIHh6pmMpd |
|---|---|
| InChI | InChI=1S/C10H4Br2O2/c11-7-3-5-6(4-8(7)12)10(14)2-1-9(5)13/h1-4H |
| InChIKey | ISAWHKQOSFKKSL-UHFFFAOYSA-N |
| Mol Weight | 315.95 g/mol |
| Molecular Formula | C10H4Br2O2 |
| Exact Mass | 313.857805 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Bjfj6FWzKVK |
|---|---|
| Name | 1,4-Naphthalenedione, 6,7-dibromo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.857805367 u |
| Formula | C10H4Br2O2 |
| InChI | InChI=1S/C10H4Br2O2/c11-7-3-5-6(4-8(7)12)10(14)2-1-9(5)13/h1-4H |
| InChIKey | ISAWHKQOSFKKSL-UHFFFAOYSA-N |
| Molecular Weight | 315.948 g/mol |
| SMILES | C12=C(C=C(C(=C2)Br)Br)C(=O)C=CC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95815 |