| SpectraBase Compound ID | 6tJN1B5df8 |
|---|---|
| InChI | InChI=1S/C18H27NO2/c1-3-13-21-16-7-8-17(15(2)14-16)18(20)9-12-19-10-5-4-6-11-19/h7-8,14H,3-6,9-13H2,1-2H3 |
| InChIKey | VSLCCPHUJCGPFV-UHFFFAOYSA-N |
| Mol Weight | 289.42 g/mol |
| Molecular Formula | C18H27NO2 |
| Exact Mass | 289.204179 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ATJBqB1M48j |
|---|---|
| Name | 1-Propanone, 1-(2-methyl-4-propoxyphenyl)-3-(1-piperidinyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.204179111 u |
| Formula | C18H27NO2 |
| InChI | InChI=1S/C18H27NO2/c1-3-13-21-16-7-8-17(15(2)14-16)18(20)9-12-19-10-5-4-6-11-19/h7-8,14H,3-6,9-13H2,1-2H3 |
| InChIKey | VSLCCPHUJCGPFV-UHFFFAOYSA-N |
| SMILES | C1(=C(C=C(C=C1)OCCC)C)C(CCN1CCCCC1)=O |