| SpectraBase Compound ID | E1sEP61KrhO |
|---|---|
| InChI | InChI=1S/C14H12N2O3/c1-10-2-6-12(7-3-10)15-14(17)11-4-8-13(9-5-11)16(18)19/h2-9H,1H3,(H,15,17) |
| InChIKey | DGGPXDZCZMNNJB-UHFFFAOYSA-N |
| Mol Weight | 256.26 g/mol |
| Molecular Formula | C14H12N2O3 |
| Exact Mass | 256.084792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8tWDs1CZ4CK |
|---|---|
| Name | Benzamide, 4-nitro-N-(4-methylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.084792251 u |
| Formula | C14H12N2O3 |
| InChI | InChI=1S/C14H12N2O3/c1-10-2-6-12(7-3-10)15-14(17)11-4-8-13(9-5-11)16(18)19/h2-9H,1H3,(H,15,17) |
| InChIKey | DGGPXDZCZMNNJB-UHFFFAOYSA-N |
| Molecular Weight | 256.261 g/mol |
| SMILES | CC1=CC=C(NC(C2=CC=C(N(=O)=O)C=C2)=O)C=C1 |