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6,8-Dichloro-3-methyl-3-(morpholinomethyl)flavanone

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

6,8-Dichloro-3-methyl-3-(morpholinomethyl)flavanone
SpectraBase Compound ID KH8e84gEoY0
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
Mol Weight 406.31 g/mol
Molecular Formula C21H21Cl2NO3
Exact Mass 405.089849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6u7Y3K8PhXY
Name 6,8-Dichloro-3-methyl-3-(morpholinomethyl)flavanone
Comments Computed using HOSE algorithm
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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