| SpectraBase Compound ID | CKPJcmH43Go |
|---|---|
| InChI | InChI=1S/C11H14N2O3/c1-2-3-8-12-11(14)9-4-6-10(7-5-9)13(15)16/h4-7H,2-3,8H2,1H3,(H,12,14) |
| InChIKey | ZPYLRHGQFFDNOH-UHFFFAOYSA-N |
| Mol Weight | 222.24 g/mol |
| Molecular Formula | C11H14N2O3 |
| Exact Mass | 222.100442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CXJsLJuRpAO |
|---|---|
| Name | Benzamide, 4-nitro-N-butyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.100442316 u |
| Formula | C11H14N2O3 |
| InChI | InChI=1S/C11H14N2O3/c1-2-3-8-12-11(14)9-4-6-10(7-5-9)13(15)16/h4-7H,2-3,8H2,1H3,(H,12,14) |
| InChIKey | ZPYLRHGQFFDNOH-UHFFFAOYSA-N |
| Molecular Weight | 222.244 g/mol |
| SMILES | C1=C(C=CC(=C1)N(=O)=O)C(NCCCC)=O |