| SpectraBase Compound ID | 4ibhlzqHrIx |
|---|---|
| InChI | InChI=1S/C7H13NO4/c1-3-6(8(10)11)4-5-7(9)12-2/h6H,3-5H2,1-2H3 |
| InChIKey | LAGLSZFFUGGYCE-UHFFFAOYSA-N |
| Mol Weight | 175.18 g/mol |
| Molecular Formula | C7H13NO4 |
| Exact Mass | 175.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1eWROpKWDan |
|---|---|
| Name | Methyl 4-nitrohexanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.084457899 u |
| Formula | C7H13NO4 |
| InChI | InChI=1S/C7H13NO4/c1-3-6(8(10)11)4-5-7(9)12-2/h6H,3-5H2,1-2H3 |
| InChIKey | LAGLSZFFUGGYCE-UHFFFAOYSA-N |
| Molecular Weight | 175.184 g/mol |
| SMILES | C(C(CCC(OC)=O)N(=O)=O)C |