| SpectraBase Compound ID | D7tIs76ldpH |
|---|---|
| InChI | InChI=1S/C7H6N2O5/c1-14-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3 |
| InChIKey | GRXZQOTZXAKVLN-UHFFFAOYSA-N |
| Mol Weight | 198.13 g/mol |
| Molecular Formula | C7H6N2O5 |
| Exact Mass | 198.027671 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I1NJQMATdCJ |
|---|---|
| Name | 1-Methoxy-3,4-dinitrobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.027671296 u |
| Formula | C7H6N2O5 |
| InChI | InChI=1S/C7H6N2O5/c1-14-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3 |
| InChIKey | GRXZQOTZXAKVLN-UHFFFAOYSA-N |
| SMILES | C1=C(C=C(C(=C1)N(=O)=O)N(=O)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970283 |