| SpectraBase Compound ID | 17VlDmdAR8J |
|---|---|
| InChI | InChI=1S/C13H18N2O3/c1-4-14(9-10(2)3)13(16)11-5-7-12(8-6-11)15(17)18/h5-8,10H,4,9H2,1-3H3 |
| InChIKey | PTYTUOSZTQYFEG-UHFFFAOYSA-N |
| Mol Weight | 250.3 g/mol |
| Molecular Formula | C13H18N2O3 |
| Exact Mass | 250.131742 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 72QUP4iFi8N |
|---|---|
| Name | Benzamide, 4-nitro-N-ethyl-N-isobutyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.131742445 u |
| Formula | C13H18N2O3 |
| InChI | InChI=1S/C13H18N2O3/c1-4-14(9-10(2)3)13(16)11-5-7-12(8-6-11)15(17)18/h5-8,10H,4,9H2,1-3H3 |
| InChIKey | PTYTUOSZTQYFEG-UHFFFAOYSA-N |
| Molecular Weight | 250.298 g/mol |
| SMILES | C1=CC(=CC=C1C(N(CC)CC(C)C)=O)N(=O)=O |