| SpectraBase Compound ID | DlkUdJO5lVS |
|---|---|
| InChI | InChI=1S/C12H15N3O5/c1-8(2)3-4-13-12(16)9-5-10(14(17)18)7-11(6-9)15(19)20/h5-8H,3-4H2,1-2H3,(H,13,16) |
| InChIKey | ACFBGDGZXHNKPG-UHFFFAOYSA-N |
| Mol Weight | 281.27 g/mol |
| Molecular Formula | C12H15N3O5 |
| Exact Mass | 281.101171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6H1ospdFIrJ |
|---|---|
| Name | N-Isopentyl-3,5-dinitrobenzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.101170590 u |
| Formula | C12H15N3O5 |
| InChI | InChI=1S/C12H15N3O5/c1-8(2)3-4-13-12(16)9-5-10(14(17)18)7-11(6-9)15(19)20/h5-8H,3-4H2,1-2H3,(H,13,16) |
| InChIKey | ACFBGDGZXHNKPG-UHFFFAOYSA-N |
| SMILES | C1(N(=O)=O)=CC(=CC(=C1)C(=O)NCCC(C)C)N(=O)=O |