| SpectraBase Compound ID | DPYxTmo8nXg |
|---|---|
| InChI | InChI=1S/C18H23FN2O3/c19-15-7-3-5-13(11-15)17(22)20-18(23)24-12-14-6-4-10-21-9-2-1-8-16(14)21/h3,5,7,11,14,16H,1-2,4,6,8-10,12H2,(H,20,22,23) |
| InChIKey | DTBMGNLTMCQNKD-UHFFFAOYSA-N |
| Mol Weight | 334.39 g/mol |
| Molecular Formula | C18H23FN2O3 |
| Exact Mass | 334.169271 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kg4k3y1KMkf |
|---|---|
| Name | (3-Fluorobenzoyl)carbamic acid, (octahydroquinolizin-1-yl)methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.169270769 u |
| Formula | C18H23FN2O3 |
| InChI | InChI=1S/C18H23FN2O3/c19-15-7-3-5-13(11-15)17(22)20-18(23)24-12-14-6-4-10-21-9-2-1-8-16(14)21/h3,5,7,11,14,16H,1-2,4,6,8-10,12H2,(H,20,22,23) |
| InChIKey | DTBMGNLTMCQNKD-UHFFFAOYSA-N |
| Molecular Weight | 334.391 g/mol |
| SMILES | C1CCN2C(C1)C(COC(NC(C1=CC(F)=CC=C1)=O)=O)CCC2 |