| SpectraBase Compound ID | JLmmrMyOmKs |
|---|---|
| InChI | InChI=1S/C13H12N2O2/c16-15(17)13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12/h1-9,14H,10H2 |
| InChIKey | YQNDTDFMUIYCKX-UHFFFAOYSA-N |
| Mol Weight | 228.25 g/mol |
| Molecular Formula | C13H12N2O2 |
| Exact Mass | 228.089878 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Cu2zVnoW3Lh |
|---|---|
| Name | N-(o-Nitrobenzyl)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.089877632 u |
| Formula | C13H12N2O2 |
| InChI | InChI=1S/C13H12N2O2/c16-15(17)13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12/h1-9,14H,10H2 |
| InChIKey | YQNDTDFMUIYCKX-UHFFFAOYSA-N |
| Molecular Weight | 228.251 g/mol |
| SMILES | C1=C(NCC=2C(N(=O)=O)=CC=CC2)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.911958 |