| SpectraBase Compound ID | EqPnlrBJwpE |
|---|---|
| InChI | InChI=1S/C19H15NO2/c21-20(22)19-8-4-7-18(14-19)17-11-9-16(10-12-17)13-15-5-2-1-3-6-15/h1-12,14H,13H2 |
| InChIKey | SBWMFILKVYCMMI-UHFFFAOYSA-N |
| Mol Weight | 289.33 g/mol |
| Molecular Formula | C19H15NO2 |
| Exact Mass | 289.110279 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LWufJXjYsYA |
|---|---|
| Name | 4'-Benzyl-3-nitro-biphenyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.110278725 u |
| Formula | C19H15NO2 |
| InChI | InChI=1S/C19H15NO2/c21-20(22)19-8-4-7-18(14-19)17-11-9-16(10-12-17)13-15-5-2-1-3-6-15/h1-12,14H,13H2 |
| InChIKey | SBWMFILKVYCMMI-UHFFFAOYSA-N |
| SMILES | C=1(N(=O)=O)C=C(C=2C=CC(=CC2)CC2=CC=CC=C2)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972575 |