| SpectraBase Compound ID | dvic7Z9fU7 |
|---|---|
| InChI | InChI=1S/C9H8N2O4/c1-7(10(12)13)6-8-2-4-9(5-3-8)11(14)15/h2-6H,1H3/b7-6+ |
| InChIKey | KSKLHQQKAFMWSA-VOTSOKGWSA-N |
| Mol Weight | 208.17 g/mol |
| Molecular Formula | C9H8N2O4 |
| Exact Mass | 208.048407 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4Qy3ENrtubH |
|---|---|
| Name | 1-Nitro-4-(2-nitropropenyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.048406742 u |
| Formula | C9H8N2O4 |
| InChI | InChI=1S/C9H8N2O4/c1-7(10(12)13)6-8-2-4-9(5-3-8)11(14)15/h2-6H,1H3/b7-6+ |
| InChIKey | KSKLHQQKAFMWSA-VOTSOKGWSA-N |
| Molecular Weight | 208.173 g/mol |
| SMILES | C=1C(=CC=C(C1)N(=O)=O)\C=C/(C)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97815 |