| SpectraBase Compound ID | CRLKNDA44EI |
|---|---|
| InChI | InChI=1S/C16H24ClNO2/c1-12-9-14(17)6-7-16(12)20-11-15(19)10-18-8-4-3-5-13(18)2/h6-7,9,13,15,19H,3-5,8,10-11H2,1-2H3 |
| InChIKey | PJSMOWNWLLFUFR-UHFFFAOYSA-N |
| Mol Weight | 297.83 g/mol |
| Molecular Formula | C16H24ClNO2 |
| Exact Mass | 297.149557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7zzpfrUPJ0R |
|---|---|
| Name | 1-(4-Chloro-2-methyl-phenoxy)-3-(2-methyl-piperidin-1-yl)-propan-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.149556715 u |
| Formula | C16H24ClNO2 |
| InChI | InChI=1S/C16H24ClNO2/c1-12-9-14(17)6-7-16(12)20-11-15(19)10-18-8-4-3-5-13(18)2/h6-7,9,13,15,19H,3-5,8,10-11H2,1-2H3 |
| InChIKey | PJSMOWNWLLFUFR-UHFFFAOYSA-N |
| SMILES | C1CCN(CC(COC2=C(C=C(Cl)C=C2)C)O)C(C1)C |