| SpectraBase Compound ID | 69Ko8vJ0Tiz |
|---|---|
| InChI | InChI=1S/C10H4Cl2O2/c11-7-5-3-1-2-4-6(5)9(13)10(14)8(7)12/h1-4H |
| InChIKey | JDQAAXMSEQPHAM-UHFFFAOYSA-N |
| Mol Weight | 227.05 g/mol |
| Molecular Formula | C10H4Cl2O2 |
| Exact Mass | 225.958835 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8K8fuEfeYCb |
|---|---|
| Name | 1,2-Naphthalenedione, 3,4-dichloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.958834767 u |
| Formula | C10H4Cl2O2 |
| InChI | InChI=1S/C10H4Cl2O2/c11-7-5-3-1-2-4-6(5)9(13)10(14)8(7)12/h1-4H |
| InChIKey | JDQAAXMSEQPHAM-UHFFFAOYSA-N |
| Molecular Weight | 227.046 g/mol |
| SMILES | C1(=O)C(=O)C(Cl)=C(Cl)C=2C1=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917695 |