| SpectraBase Spectrum ID |
FhVUsMuHBW8 |
| Name |
6,8-Dichloro-3-methyl-3-(morpholinomethyl)flavanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.089848937 u |
| Formula |
C21H21Cl2NO3 |
| InChI |
InChI=1S/C21H21Cl2NO3/c1-21(13-24-7-9-26-10-8-24)19(25)16-11-15(22)12-17(23)18(16)27-20(21)14-5-3-2-4-6-14/h2-6,11-12,20H,7-10,13H2,1H3 |
| InChIKey |
WZGSRBVBOFPFEQ-UHFFFAOYSA-N |
| Molecular Weight |
406.309 g/mol |
| SMILES |
C=12C=C(C=C(C1OC(C(C2=O)(CN1CCOCC1)C)C=1C=CC=CC1)Cl)Cl |
| Spectrum/Structure Validation Score (Raman) |
0.918432 |
