| SpectraBase Compound ID | 5gt4MJqlddK |
|---|---|
| InChI | InChI=1S/C12H8N2O5/c15-13(16)9-4-6-11(7-5-9)19-12-3-1-2-10(8-12)14(17)18/h1-8H |
| InChIKey | RLCAMJXZACQENP-UHFFFAOYSA-N |
| Mol Weight | 260.2 g/mol |
| Molecular Formula | C12H8N2O5 |
| Exact Mass | 260.043321 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ithulz6YLgX |
|---|---|
| Name | 1-Nitro-3-(4-nitrophenoxy)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.043321361 u |
| Formula | C12H8N2O5 |
| InChI | InChI=1S/C12H8N2O5/c15-13(16)9-4-6-11(7-5-9)19-12-3-1-2-10(8-12)14(17)18/h1-8H |
| InChIKey | RLCAMJXZACQENP-UHFFFAOYSA-N |
| SMILES | C1(N(=O)=O)=CC(=CC=C1)OC1=CC=C(C=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983549 |