| SpectraBase Compound ID | 7ClhOHydW3V |
|---|---|
| InChI | InChI=1S/C11H13N3O5/c1-2-3-4-12-11(15)8-5-9(13(16)17)7-10(6-8)14(18)19/h5-7H,2-4H2,1H3,(H,12,15) |
| InChIKey | FGIFCTOQWKVMBH-UHFFFAOYSA-N |
| Mol Weight | 267.24 g/mol |
| Molecular Formula | C11H13N3O5 |
| Exact Mass | 267.085521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FqtVWTwz7ZE |
|---|---|
| Name | N-Butyl-3,5-dinitrobenzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.085520526 u |
| Formula | C11H13N3O5 |
| InChI | InChI=1S/C11H13N3O5/c1-2-3-4-12-11(15)8-5-9(13(16)17)7-10(6-8)14(18)19/h5-7H,2-4H2,1H3,(H,12,15) |
| InChIKey | FGIFCTOQWKVMBH-UHFFFAOYSA-N |
| Molecular Weight | 267.241 g/mol |
| SMILES | C1(N(=O)=O)=CC(=CC(=C1)C(=O)NCCCC)N(=O)=O |