| SpectraBase Compound ID | 4ntTPrYHbgI |
|---|---|
| InChI | InChI=1S/C13H11NO2/c1-10-7-8-12(14(15)16)9-13(10)11-5-3-2-4-6-11/h2-9H,1H3 |
| InChIKey | URKOXRGLMICDRL-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 | FHTSNZIyTAa |
|---|---|
| Name | 1-Methyl-4-nitro-2-phenyl-benzene |
| 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/c1-10-7-8-12(14(15)16)9-13(10)11-5-3-2-4-6-11/h2-9H,1H3 |
| InChIKey | URKOXRGLMICDRL-UHFFFAOYSA-N |
| Molecular Weight | 213.236 g/mol |
| SMILES | C=1(N(=O)=O)C=C(C=2C=CC=CC2)C(=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955705 |