![3-Phenoxypropylamine, 2-allyl-.beta.-hydroxy-N-[3.3-dimethylpropargyl]-](/api/spectrum/8KfNQ6LB6z7/structure.png?h=300&w=458 "3-Phenoxypropylamine, 2-allyl-.beta.-hydroxy-N-[3.3-dimethylpropargyl]-")
| SpectraBase Compound ID | 3ZvKnu8YNNA |
|---|---|
| InChI | InChI=1S/C17H23NO2/c1-5-9-14-10-7-8-11-16(14)20-13-15(19)12-18-17(3,4)6-2/h2,5,7-8,10-11,15,18-19H,1,9,12-13H2,3-4H3 |
| InChIKey | LKZHZMHGWNJBMY-UHFFFAOYSA-N |
| Mol Weight | 273.38 g/mol |
| Molecular Formula | C17H23NO2 |
| Exact Mass | 273.172879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8KfNQ6LB6z7 |
|---|---|
| Name | 3-Phenoxypropylamine, 2-allyl-.beta.-hydroxy-N-[3.3-dimethylpropargyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.172878983 u |
| Formula | C17H23NO2 |
| InChI | InChI=1S/C17H23NO2/c1-5-9-14-10-7-8-11-16(14)20-13-15(19)12-18-17(3,4)6-2/h2,5,7-8,10-11,15,18-19H,1,9,12-13H2,3-4H3 |
| InChIKey | LKZHZMHGWNJBMY-UHFFFAOYSA-N |
| SMILES | C(OC1=C(C=CC=C1)CC=C)C(CNC(C)(C)C#C)O |