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3,3-bis(Morpholinomethyl)-6-bromo-7-methyl-4-chromanone

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

3,3-bis(Morpholinomethyl)-6-bromo-7-methyl-4-chromanone
SpectraBase Compound ID BWIUMUmCNkY
InChI InChI=1S/C20H27BrN2O4/c1-15-10-18-16(11-17(15)21)19(24)20(14-27-18,12-22-2-6-25-7-3-22)13-23-4-8-26-9-5-23/h10-11H,2-9,12-14H2,1H3
InChIKey XYRQFWHJTZZVFU-UHFFFAOYSA-N
Mol Weight 439.35 g/mol
Molecular Formula C20H27BrN2O4
Exact Mass 438.11542 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K6CJ3O6lrfI
Name 3,3-bis(Morpholinomethyl)-6-bromo-7-methyl-4-chromanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.115420353 u
Formula C20H27BrN2O4
InChI InChI=1S/C20H27BrN2O4/c1-15-10-18-16(11-17(15)21)19(24)20(14-27-18,12-22-2-6-25-7-3-22)13-23-4-8-26-9-5-23/h10-11H,2-9,12-14H2,1H3
InChIKey XYRQFWHJTZZVFU-UHFFFAOYSA-N
Molecular Weight 439.350 g/mol
SMILES CC=1C=C2C(=CC1Br)C(=O)C(CO2)(CN1CCOCC1)CN1CCOCC1