| SpectraBase Compound ID | CkTl9NNklER |
|---|---|
| InChI | InChI=1S/C13H18N2O3/c1-3-5-10-14(4-2)13(16)11-6-8-12(9-7-11)15(17)18/h6-9H,3-5,10H2,1-2H3 |
| InChIKey | CGBLXOJNDWCYPE-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 | 5p4xqNIcmOL |
|---|---|
| Name | Benzamide, 4-nitro-N-ethyl-N-butyl- |
| 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/c1-3-5-10-14(4-2)13(16)11-6-8-12(9-7-11)15(17)18/h6-9H,3-5,10H2,1-2H3 |
| InChIKey | CGBLXOJNDWCYPE-UHFFFAOYSA-N |
| Molecular Weight | 250.298 g/mol |
| SMILES | C1=CC(=CC=C1C(N(CC)CCCC)=O)N(=O)=O |