| SpectraBase Compound ID | 18QGrV4gaFa |
|---|---|
| InChI | InChI=1S/C13H12N2O2/c16-15(17)13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-9,14H,10H2 |
| InChIKey | QBSRKOBMKFOHOS-UHFFFAOYSA-N |
| Mol Weight | 228.25 g/mol |
| Molecular Formula | C13H12N2O2 |
| Exact Mass | 228.089878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GI1YHUYd6tl |
|---|---|
| Name | Benzenemethanamine, N-(4-nitrophenyl)- |
| Comments | Computed using HOSE algorithm |
| 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)13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-9,14H,10H2 |
| InChIKey | QBSRKOBMKFOHOS-UHFFFAOYSA-N |
| Molecular Weight | 228.251 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(NCC2=CC=CC=C2)C=C1 |