| SpectraBase Compound ID | 29re1P1C7R1 |
|---|---|
| InChI | InChI=1S/C14H12N2O3/c1-10-7-8-12(16(18)19)9-13(10)15-14(17)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,17) |
| InChIKey | AITINBWGCGZTNE-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 | DAVFNUOen3K |
|---|---|
| Name | 2-Benzamido-4-nitrotoluene |
| 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/c1-10-7-8-12(16(18)19)9-13(10)15-14(17)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,17) |
| InChIKey | AITINBWGCGZTNE-UHFFFAOYSA-N |
| Molecular Weight | 256.261 g/mol |
| SMILES | C1(NC(C2=CC=CC=C2)=O)=CC(=CC=C1C)N(=O)=O |