| SpectraBase Compound ID | 5VAMMzThhbr |
|---|---|
| InChI | InChI=1S/C13H11NO3/c1-17-13-4-2-3-11(9-13)10-5-7-12(8-6-10)14(15)16/h2-9H,1H3 |
| InChIKey | RHXHCVSIRNYRDA-UHFFFAOYSA-N |
| Mol Weight | 229.23 g/mol |
| Molecular Formula | C13H11NO3 |
| Exact Mass | 229.073893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3BP4HjZ4Kq9 |
|---|---|
| Name | 3-Methoxy-4'-nitrobiphenyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.073893215 u |
| Formula | C13H11NO3 |
| InChI | InChI=1S/C13H11NO3/c1-17-13-4-2-3-11(9-13)10-5-7-12(8-6-10)14(15)16/h2-9H,1H3 |
| InChIKey | RHXHCVSIRNYRDA-UHFFFAOYSA-N |
| Molecular Weight | 229.235 g/mol |
| SMILES | C=1C(=CC=CC1C=1C=CC(=CC1)[N+](=O)[O-])OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920986 |