| SpectraBase Compound ID | 5Aszs2yv6gA |
|---|---|
| InChI | InChI=1S/C13H11NO2/c1-10-7-8-13(14(15)16)12(9-10)11-5-3-2-4-6-11/h2-9H,1H3 |
| InChIKey | UHRJSZIQGJRQOZ-UHFFFAOYSA-N |
| Mol Weight | 213.24 g/mol |
| Molecular Formula | C13H11NO2 |
| Exact Mass | 213.078979 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BqjtadI9O2n |
|---|---|
| Name | 1,1'-Biphenyl, 5-methyl-2-nitro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.078978596 u |
| Formula | C13H11NO2 |
| InChI | InChI=1S/C13H11NO2/c1-10-7-8-13(14(15)16)12(9-10)11-5-3-2-4-6-11/h2-9H,1H3 |
| InChIKey | UHRJSZIQGJRQOZ-UHFFFAOYSA-N |
| Molecular Weight | 213.236 g/mol |
| SMILES | C=1(N(=O)=O)C(=CC(=CC1)C)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93096 |