| SpectraBase Compound ID | AdzMji1FD36 |
|---|---|
| InChI | InChI=1S/C12H16N2O3/c1-4-9(2)13(3)12(15)10-5-7-11(8-6-10)14(16)17/h5-9H,4H2,1-3H3 |
| InChIKey | YTBUKRILVMROIM-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C12H16N2O3 |
| Exact Mass | 236.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HjhBvX82fYb |
|---|---|
| Name | Benzamide, 4-nitro-N-(2-butyl)-N-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.116092380 u |
| Formula | C12H16N2O3 |
| InChI | InChI=1S/C12H16N2O3/c1-4-9(2)13(3)12(15)10-5-7-11(8-6-10)14(16)17/h5-9H,4H2,1-3H3 |
| InChIKey | YTBUKRILVMROIM-UHFFFAOYSA-N |
| Molecular Weight | 236.271 g/mol |
| SMILES | C(C1=CC=C(C=C1)N(=O)=O)(=O)N(C)C(CC)C |