![Phenol, o-[4-[1-cycloazapropyl]-N-butyl]-2,6-dimethyl-](/api/spectrum/848Ch78IhsM/structure.png?h=300&w=458 "Phenol, o-[4-[1-cycloazapropyl]-N-butyl]-2,6-dimethyl-")
| SpectraBase Compound ID | 8oGRzslScmP |
|---|---|
| InChI | InChI=1S/C14H21NO/c1-12-6-5-7-13(2)14(12)16-11-4-3-8-15-9-10-15/h5-7H,3-4,8-11H2,1-2H3 |
| InChIKey | CPOUNCISHPEPRD-UHFFFAOYSA-N |
| Mol Weight | 219.33 g/mol |
| Molecular Formula | C14H21NO |
| Exact Mass | 219.162314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 848Ch78IhsM |
|---|---|
| Name | Phenol, o-[4-[1-cycloazapropyl]-N-butyl]-2,6-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.162314299 u |
| Formula | C14H21NO |
| InChI | InChI=1S/C14H21NO/c1-12-6-5-7-13(2)14(12)16-11-4-3-8-15-9-10-15/h5-7H,3-4,8-11H2,1-2H3 |
| InChIKey | CPOUNCISHPEPRD-UHFFFAOYSA-N |
| Molecular Weight | 219.328 g/mol |
| SMILES | C1(=C(C=CC=C1C)C)OCCCCN1CC1 |