| SpectraBase Compound ID | BLAt7aghVia |
|---|---|
| InChI | InChI=1S/C12H23NO2/c1-2-3-4-6-9-12(13(14)15)10-7-5-8-11-12/h2-11H2,1H3 |
| InChIKey | HTAJGGVKBBSFJG-UHFFFAOYSA-N |
| Mol Weight | 213.32 g/mol |
| Molecular Formula | C12H23NO2 |
| Exact Mass | 213.172879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Xcm9nCzZ69 |
|---|---|
| Name | 1-Hexyl-1-nitrocyclohexane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.172878983 u |
| Formula | C12H23NO2 |
| InChI | InChI=1S/C12H23NO2/c1-2-3-4-6-9-12(13(14)15)10-7-5-8-11-12/h2-11H2,1H3 |
| InChIKey | HTAJGGVKBBSFJG-UHFFFAOYSA-N |
| Molecular Weight | 213.321 g/mol |
| SMILES | C1CC(CCC1)(CCCCCC)N(=O)=O |