| SpectraBase Compound ID | 3aqmCzyk0Gm |
|---|---|
| InChI | InChI=1S/C18H27NO4/c1-14(2)17-6-4-5-7-18(17)22-13-16(23-15(3)20)12-19-8-10-21-11-9-19/h4-7,14,16H,8-13H2,1-3H3 |
| InChIKey | KPUUYCILMMUGOJ-UHFFFAOYSA-N |
| Mol Weight | 321.42 g/mol |
| Molecular Formula | C18H27NO4 |
| Exact Mass | 321.194008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7nUcKkhccc8 |
|---|---|
| Name | 1-(2-Isopropyl-phenoxy)-3-morpholin-4-yl-propan-2-ol, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.194008349 u |
| Formula | C18H27NO4 |
| InChI | InChI=1S/C18H27NO4/c1-14(2)17-6-4-5-7-18(17)22-13-16(23-15(3)20)12-19-8-10-21-11-9-19/h4-7,14,16H,8-13H2,1-3H3 |
| InChIKey | KPUUYCILMMUGOJ-UHFFFAOYSA-N |
| Molecular Weight | 321.417 g/mol |
| SMILES | C(OC1=C(C(C)C)C=CC=C1)C(CN1CCOCC1)OC(C)=O |