| SpectraBase Compound ID | BTjrE7odfvw |
|---|---|
| InChI | InChI=1S/C11H13NO4/c1-16-11-7-3-2-5-9(11)10(13)6-4-8-12(14)15/h2-3,5,7H,4,6,8H2,1H3 |
| InChIKey | ISJOSQFXASKNBF-UHFFFAOYSA-N |
| Mol Weight | 223.23 g/mol |
| Molecular Formula | C11H13NO4 |
| Exact Mass | 223.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2OKlQjwPbVI |
|---|---|
| Name | 1-(2-Methoxyphenyl)-4-nitro-1-butanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.084457899 u |
| Formula | C11H13NO4 |
| InChI | InChI=1S/C11H13NO4/c1-16-11-7-3-2-5-9(11)10(13)6-4-8-12(14)15/h2-3,5,7H,4,6,8H2,1H3 |
| InChIKey | ISJOSQFXASKNBF-UHFFFAOYSA-N |
| Molecular Weight | 223.228 g/mol |
| SMILES | C(N(=O)=O)CCC(C=1C(OC)=CC=CC1)=O |