| SpectraBase Compound ID | 312X8crwwAD |
|---|---|
| InChI | InChI=1S/C15H17Cl2NO3/c1-15(8-18-2-4-20-5-3-18)9-21-13-11(14(15)19)6-10(16)7-12(13)17/h6-7H,2-5,8-9H2,1H3 |
| InChIKey | QITFYPWYKANBEO-UHFFFAOYSA-N |
| Mol Weight | 330.21 g/mol |
| Molecular Formula | C15H17Cl2NO3 |
| Exact Mass | 329.058549 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JzXhmPRHbAi |
|---|---|
| Name | 6,8-Dichloro-3-methyl-3-(morpholinomethyl)-4-chromanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.058548808 u |
| Formula | C15H17Cl2NO3 |
| InChI | InChI=1S/C15H17Cl2NO3/c1-15(8-18-2-4-20-5-3-18)9-21-13-11(14(15)19)6-10(16)7-12(13)17/h6-7H,2-5,8-9H2,1H3 |
| InChIKey | QITFYPWYKANBEO-UHFFFAOYSA-N |
| Molecular Weight | 330.211 g/mol |
| SMILES | C=12C=C(C=C(C1OCC(C2=O)(CN1CCOCC1)C)Cl)Cl |